Gaussian 16 GINC-ART ANDREA NEW-compound opt 6-31G** ES64L-G16RevA.03 11-Jun-2019 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 26 26 (6D, 7F) 6-31G(d,p) RB3LYP 6-31G(d,p) FOpt #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) NoSymm Int=UltraFine Freq=NoRaman SCF=XQC Test 275.6505999999998 -1 1 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4809,.5912,-.8256;2.4097,1.0233,-.5749;2.2721,2.5811,-.2114;2.1516,.838,-2.1489;1.2136,.1517,.2929;7.8492,-.8526,.9338;-.6379,1.0794,-.8865;-1.922,1.1677,-1.132;4.019,.4328,-.1224;4.5763,.7975,1.1213;4.7577,-.3937,-.9944;6.6091,-.4471,.5956;5.8668,.3624,1.4773;6.0488,-.8291,-.6398;-.1178,.2408,.0518;-1.0136,-.5596,.7876;-2.3913,-.4756,.5197;-2.8394,.4214,-.466;8.042,-1.8358,1.0605;8.5857,-.1731,1.0605;4.0061,1.4193,1.8115;4.3278,-.698,-1.9487;6.2922,.653,2.4378;6.6152,-1.4626,-1.3225;-.6442,-1.2376,1.5569;-3.1007,-1.0959,1.0675; g16 Output=mol.log NProcShared=16 Mem=8Gb Chk=mol #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) 1/7=10,18=20,19=15,26=6,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3 4//1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 NEW-compound opt 6-31G** Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 1 2 2 2 2 5 6 6 6 7 7 8 9 9 10 10 11 11 12 12 13 14 15 16 16 17 17 18 3 4 5 9 15 12 19 20 8 15 18 10 11 13 21 14 22 13 14 23 24 16 17 25 18 26 1.689 1.6056 1.6058 1.7156 1.773 1.356 1.3478 1.01 1.01 1.3103 1.3617 1.3573 1.4107 1.4104 1.4076 1.09 1.408 1.09 1.4084 1.4093 1.09 1.09 1.4087 1.406 1.09 1.406 1.09 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 3 3 3 4 4 5 2 12 12 19 8 7 2 2 10 9 9 13 9 9 14 6 6 13 10 10 12 11 11 12 5 5 7 15 15 17 16 16 18 1 1 8 2 2 2 2 2 2 5 6 6 6 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 4 5 9 5 9 9 15 19 20 20 15 18 10 11 11 13 21 21 14 22 22 13 14 14 12 23 23 12 24 24 7 16 16 17 25 25 18 26 26 8 17 17 108.6687 108.5818 110.0676 108.9763 110.956 109.5437 124.1374 120.0005 120.0001 119.9993 123.0194 122.2359 119.833 120.8467 119.3193 120.343 119.9392 119.7179 120.3838 119.893 119.7231 120.0524 120.2799 119.6678 120.1712 119.8859 119.9429 120.1009 119.9008 119.9983 122.5508 119.6148 117.8342 119.3178 120.4347 120.2475 118.9449 120.527 120.5281 119.813 121.5434 118.6426 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 3 4 9 3 3 4 4 5 5 2 2 19 19 20 20 15 8 8 7 7 2 2 11 11 2 2 10 10 9 9 21 21 9 9 22 22 6 6 14 14 6 6 13 13 5 5 7 7 15 15 25 25 16 16 26 26 2 2 2 2 2 2 2 2 2 5 5 6 6 6 6 7 7 7 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 15 15 15 15 16 16 16 16 17 17 17 17 5 5 5 9 9 9 9 9 9 15 15 12 12 12 12 8 15 15 18 18 10 10 10 10 11 11 11 11 13 13 13 13 14 14 14 14 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 15 15 15 10 11 10 11 10 11 7 16 13 14 13 14 18 5 16 1 17 13 21 13 21 14 22 14 22 12 23 12 23 12 24 12 24 10 23 10 23 11 24 11 24 17 25 17 25 18 26 18 26 1 8 1 8 68.5856 -49.6247 -171.1846 43.89 -135.7392 164.21 -15.4191 -75.4289 104.9419 -2.3614 177.4633 116.2242 -63.8073 -63.7755 116.193 -0.1506 179.6289 -0.1988 179.6412 -0.0112 -178.4027 1.5974 1.2321 -178.7677 178.3702 -1.6294 -1.2608 178.7396 -0.3289 179.6714 179.6709 -0.3287 0.3862 -179.6143 -179.6142 0.3853 179.413 -0.5873 -0.5556 179.444 -179.4415 0.559 0.5271 -179.4724 -179.1362 0.8642 0.6967 -179.3028 -0.8542 179.1453 179.1453 -0.8551 -179.1325 0.5137 0.868 -179.4859 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 26 1.00e+00 60 F Berny optimization. local minimum Step number 37 out of a maximum of 135 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00075 0.00657 0.00971 0.01261 0.01488 0.01892 0.01967 0.01973 0.01980 0.02000 0.02002 0.02003 0.02029 0.02044 0.02083 0.02120 0.02270 0.02293 0.02686 0.03008 0.04864 0.12832 0.13301 0.13962 0.14429 0.15585 0.15761 0.15877 0.15945 0.16001 0.16027 0.17147 0.18843 0.20198 0.20867 0.21764 0.22068 0.23298 0.23619 0.24461 0.24926 0.25227 0.25535 0.26438 0.27043 0.28537 0.32287 0.34748 0.34807 0.34816 0.34816 0.34832 0.34870 0.35426 0.38646 0.40341 0.41320 0.41462 0.42296 0.43337 0.43554 0.44140 0.45059 0.45973 0.46646 0.47897 0.50071 0.50918 0.50942 0.54158 0.56658 0.60606 -2.86077229e-13 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 3.34985 2.81710 2.81650 3.07695 3.38574 2.56271 2.62121 1.91095 1.91097 2.53954 2.57262 2.47724 2.64077 2.64137 2.62740 2.04994 2.62679 2.04988 2.66392 2.66429 2.05336 2.05344 2.70763 2.58525 2.04929 2.66270 2.04816 2.00981 1.98638 1.85430 1.98661 1.85464 1.73951 2.10071 2.02099 2.02193 1.95670 2.09643 2.09719 2.09753 2.09681 2.08883 2.09928 2.08806 2.09575 2.09930 2.08908 2.09471 2.10781 2.10690 2.06761 2.10563 2.09273 2.08482 2.10567 2.09290 2.08461 2.14418 2.04300 2.09600 2.07948 2.07805 2.12565 2.02643 2.13829 2.11847 2.03064 2.08172 2.17083 1.18568 -1.16434 -3.13116 0.47252 -2.66238 2.62109 -0.51381 -1.59460 1.55368 0.00120 -3.14043 -2.76817 0.41905 -0.42385 2.76337 -0.00057 -3.14047 0.00117 3.14140 -0.00014 3.13916 -0.01720 -0.00909 3.11774 -3.13945 0.01692 0.00880 -3.11801 0.00067 3.13858 -3.12610 0.01181 -0.00008 -3.13737 3.12669 -0.01061 -3.08907 0.05619 0.00791 -3.13002 3.08880 -0.05707 -0.00820 3.12911 3.14056 -0.00053 -0.00107 3.14102 0.00039 -3.14118 3.14146 -0.00010 -3.14132 0.00022 0.00024 -3.14141 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 3.34985 2.81710 2.81650 3.07695 3.38574 2.56271 2.62121 1.91095 1.91097 2.53954 2.57262 2.47724 2.64077 2.64137 2.62740 2.04994 2.62679 2.04988 2.66392 2.66429 2.05336 2.05344 2.70763 2.58525 2.04929 2.66270 2.04816 2.00981 1.98638 1.85430 1.98661 1.85464 1.73951 2.10071 2.02099 2.02193 1.95670 2.09643 2.09719 2.09752 2.09681 2.08883 2.09928 2.08806 2.09576 2.09930 2.08909 2.09471 2.10781 2.10690 2.06761 2.10563 2.09273 2.08482 2.10567 2.09290 2.08461 2.14418 2.04300 2.09600 2.07948 2.07805 2.12565 2.02643 2.13829 2.11847 2.03064 2.08172 2.17083 1.18567 -1.16434 -3.13116 0.47248 -2.66242 2.62106 -0.51385 -1.59464 1.55364 0.00120 -3.14043 -2.76817 0.41905 -0.42385 2.76337 -0.00057 -3.14047 0.00117 3.14140 -0.00014 3.13916 -0.01719 -0.00909 3.11774 -3.13945 0.01692 0.00880 -3.11801 0.00067 3.13858 -3.12610 0.01181 -0.00008 -3.13738 3.12669 -0.01061 -3.08907 0.05619 0.00791 -3.13002 3.08880 -0.05707 -0.00820 3.12911 3.14056 -0.00053 -0.00107 3.14102 0.00039 -3.14118 3.14146 -0.00010 -3.14132 0.00022 0.00024 -3.14141 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000069 0.000025 0.000015 0.000010 0.000060 0.000040 YES YES NO YES -3.277777e-12 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 1 2 2 2 2 5 6 6 6 7 7 8 9 9 10 10 11 11 12 12 13 14 15 16 16 17 17 18 3 4 5 9 15 12 19 20 8 15 18 10 11 13 21 14 22 13 14 23 24 16 17 25 18 26 1.7727 1.4907 1.4904 1.6282 1.7917 1.3561 1.3871 1.0112 1.0112 1.3439 1.3614 1.3109 1.3974 1.3978 1.3904 1.0848 1.39 1.0848 1.4097 1.4099 1.0866 1.0866 1.4328 1.3681 1.0844 1.409 1.0838 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 3 3 3 4 4 5 2 12 12 19 8 7 2 2 10 9 9 13 9 9 14 6 6 13 10 10 12 11 11 12 5 5 7 15 15 17 16 16 18 1 1 8 2 2 2 2 2 2 5 6 6 6 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 4 5 9 5 9 9 15 19 20 20 15 18 10 11 11 13 21 21 14 22 22 13 14 14 12 23 23 12 24 24 7 16 16 17 25 25 18 26 26 8 17 17 115.1535 113.8112 106.2438 113.8245 106.2629 99.6665 120.3617 115.7943 115.8483 112.1106 120.1168 120.1602 120.1793 120.1385 119.681 120.2798 119.6369 120.0779 120.2808 119.6957 120.018 120.7684 120.7163 118.4651 120.6437 119.9048 119.4511 120.6458 119.9143 119.4394 122.8526 117.0555 120.0919 119.1456 119.0635 121.7909 116.106 122.5148 121.3792 116.3469 119.2736 124.3795 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 3 4 9 3 3 4 4 5 5 2 2 19 19 20 20 15 8 8 7 7 2 2 11 11 2 2 10 10 9 9 21 21 9 9 22 22 6 6 14 14 6 6 13 13 5 5 7 7 15 15 25 25 16 16 26 2 2 2 2 2 2 2 2 2 5 5 6 6 6 6 7 7 7 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 15 15 15 15 16 16 16 16 17 17 17 5 5 5 9 9 9 9 9 9 15 15 12 12 12 12 8 15 15 18 18 10 10 10 10 11 11 11 11 13 13 13 13 14 14 14 14 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 15 15 15 10 11 10 11 10 11 7 16 13 14 13 14 18 5 16 1 17 13 21 13 21 14 22 14 22 12 23 12 23 12 24 12 24 10 23 10 23 11 24 11 24 17 25 17 25 18 26 18 26 1 8 1 67.9343 -66.7115 -179.4021 27.0734 -152.5434 150.1777 -29.4391 -91.3638 89.0194 0.0688 -179.9336 -158.6044 24.0098 -24.2847 158.3295 -0.0326 -179.9356 0.0668 179.9888 -0.0081 179.8604 -0.9853 -0.521 178.6333 -179.8771 0.9696 0.5042 -178.6491 0.0384 179.8275 -179.1122 0.6769 -0.0046 -179.7583 179.1459 -0.6078 -176.9905 3.2194 0.453 -179.337 176.9751 -3.2701 -0.4699 179.285 179.9408 -0.0302 -0.0615 179.9675 0.0221 -179.9761 179.9923 -0.0059 -179.9845 0.0124 0.0137 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4809,.5912,-.8256;2.4097,1.0233,-.5749;2.2721,2.5811,-.2114;2.1516,.838,-2.1489;1.2136,.1517,.2929;7.8492,-.8526,.9338;-.6379,1.0794,-.8865;-1.922,1.1677,-1.132;4.019,.4328,-.1224;4.5763,.7975,1.1213;4.7577,-.3937,-.9944;6.6091,-.4471,.5956;5.8668,.3624,1.4773;6.0488,-.8291,-.6398;-.1178,.2408,.0518;-1.0136,-.5596,.7876;-2.3913,-.4756,.5197;-2.8394,.4214,-.466;8.042,-1.8358,1.0605;8.5857,-.1731,1.0605;4.0061,1.4193,1.8115;4.3278,-.698,-1.9487;6.2922,.653,2.4378;6.6152,-1.4626,-1.3225;-.6442,-1.2376,1.5569;-3.1007,-1.0959,1.0675; 0.000000 6.908676 0.000000 7.066834 1.605615 0.000000 6.767744 1.605781 2.609045 0.000000 5.819966 1.715610 2.697568 2.704349 0.000000 12.538409 5.948400 6.648771 6.695083 6.741675 0.000000 3.874403 3.063957 3.343505 3.071322 2.383224 8.892498 0.000000 2.640907 4.369727 4.520572 4.211515 3.590925 10.189464 1.310342 0.000000 8.530459 1.772976 2.770384 2.785399 2.849884 4.175879 4.763271 6.070840 0.000000 9.266373 2.760841 3.204203 4.071264 3.522875 3.670121 5.594487 6.887808 1.410749 0.000000 9.292459 2.774323 3.954862 3.105104 3.809838 3.672352 5.594047 6.861091 1.410371 2.434738 0.000000 11.228860 4.600838 5.350863 5.390167 5.437079 1.347780 7.552894 8.852822 2.828160 2.440872 2.441105 0.000000 10.603310 4.074272 4.549319 5.213263 4.806127 2.387770 6.957882 8.253583 2.444986 1.407619 2.812630 1.408430 0.000000 10.626725 4.083995 5.106586 4.499458 5.021080 2.391288 6.958099 8.231849 2.445469 2.813493 1.407979 1.409335 2.436161 0.000000 4.464271 2.718996 3.355275 3.217106 1.355972 8.089859 1.361685 2.348567 4.144906 4.846413 5.026604 6.783814 6.153163 6.296807 0.000000 3.993615 4.010060 4.653798 4.538146 2.389790 8.868836 2.372767 2.737434 5.209627 5.761908 6.042370 7.625976 6.976039 7.210261 1.408731 0.000000 2.704494 5.147250 5.623626 5.430028 3.666119 10.255810 2.733115 2.376722 6.506148 7.108425 7.308012 9.000815 8.355534 8.526753 2.429231 1.406028 0.000000 1.688976 5.284619 5.554891 5.283580 4.132297 10.854913 2.335942 1.357302 6.867071 7.592990 7.658940 9.547604 8.920627 8.977477 2.776360 2.422275 1.406042 0.000000 12.894646 6.524770 7.376985 7.221315 7.153082 1.009998 9.361099 10.635317 4.767665 4.353095 4.133951 2.048874 3.120511 2.806708 8.480092 9.149172 10.535520 11.217454 0.000000 13.224120 6.499918 7.004653 7.260883 7.419018 1.010006 9.509660 10.817388 4.756115 4.125648 4.350294 2.048876 2.802288 3.123644 8.771464 9.610916 10.994456 11.541947 1.749369 0.000000 8.925818 2.898367 2.906740 4.411632 3.422137 4.549807 5.381636 6.623472 2.170995 1.090006 3.424159 3.425994 2.165805 3.903455 4.635953 5.492001 6.796060 7.283166 5.239098 4.906302 0.000000 8.973098 2.920493 4.242281 2.671184 3.929991 4.553367 5.380048 6.573230 2.170149 3.423894 1.089993 3.426531 3.902576 2.166175 4.964473 6.003041 7.161616 7.404078 4.913832 5.240287 4.327306 0.000000 11.256724 4.928250 5.186289 6.182011 5.535689 2.636838 7.698003 8.971154 3.430800 2.167607 3.902623 2.168946 1.090004 3.424580 6.852060 7.587378 8.964155 9.585007 3.339614 2.799879 2.491095 4.992557 0.000000 11.295521 4.942156 6.037299 5.089155 5.864522 2.643077 7.697967 8.935224 3.431179 3.903489 2.168091 2.170354 3.424812 1.090005 7.079752 7.966576 9.245830 9.678487 2.802510 3.350276 4.993441 2.491784 4.326657 0.000000 4.872530 4.356869 5.119990 5.085078 2.641834 8.524898 3.367341 3.827369 5.230289 5.619990 6.033348 7.359316 6.705122 7.056130 2.174454 1.089994 2.170026 3.415204 8.720907 9.304276 5.361815 6.107453 7.243167 7.812841 0.000000 2.887069 6.128008 6.634968 6.455383 4.557379 10.953400 3.823027 3.369143 7.378563 7.907170 8.154636 9.742907 9.094487 9.311271 3.422905 2.173001 1.090001 2.173026 11.167243 11.722731 7.575384 8.027321 9.652075 10.012252 2.508796 0.000000 1.3065054 0.1236568 0.1206923 -14.34079 -14.32171 -14.30149 -10.26326 -10.24986 -10.23542 -10.23157 -10.21385 -10.21336 -10.21246 -10.20088 -10.19811 -10.19794 -9.47508 -8.10946 -7.23884 -7.22933 -7.22900 -6.07420 -6.07337 -6.07293 -1.01425 -1.00396 -0.91952 -0.90432 -0.89623 -0.86680 -0.85016 -0.79073 -0.76854 -0.75467 -0.74355 -0.67215 -0.64280 -0.62140 -0.61428 -0.58144 -0.53335 -0.51687 -0.51600 -0.50062 -0.48665 -0.46949 -0.46160 -0.44617 -0.43238 -0.42809 -0.41772 -0.41170 -0.40979 -0.38979 -0.37392 -0.36552 -0.36015 -0.33724 -0.32647 -0.30947 -0.29995 -0.28667 -0.28474 -0.27503 -0.26341 -0.25605 -0.24757 -0.24449 -0.22181 -0.20816 -0.19005 -0.03618 -0.03521 -0.01683 -0.00243 0.04881 0.05404 0.07044 0.08700 0.09889 0.11593 0.12985 0.13785 0.14324 0.15054 0.15771 0.17341 0.18277 0.19042 0.20311 0.22669 0.24553 0.26334 0.28329 0.28820 0.29769 0.30412 0.33502 0.33984 0.35914 0.37132 0.38211 0.39803 0.40575 0.40913 0.42525 0.43660 0.44664 0.47959 0.50187 0.51916 0.52535 0.53035 0.53667 0.53723 0.55214 0.56300 0.56715 0.58108 0.58275 0.58726 0.58908 0.59725 0.60858 0.61995 0.62698 0.63267 0.64249 0.64932 0.65988 0.69025 0.69496 0.71098 0.71732 0.73380 0.75791 0.76221 0.77051 0.78727 0.79558 0.79967 0.80439 0.81245 0.81793 0.82463 0.83069 0.84376 0.84977 0.85904 0.86182 0.86631 0.86876 0.87755 0.88448 0.89036 0.90750 0.91448 0.92788 0.93549 0.94944 0.95393 0.96367 0.97418 0.99477 1.00443 1.01530 1.01716 1.02935 1.05467 1.05874 1.07331 1.09185 1.10625 1.12579 1.14002 1.15245 1.17062 1.18070 1.19949 1.20599 1.23081 1.24900 1.25976 1.27767 1.29620 1.31987 1.33445 1.34965 1.37116 1.39014 1.39230 1.39454 1.41479 1.42943 1.44113 1.45551 1.49852 1.50799 1.52023 1.53082 1.55256 1.56669 1.59246 1.66555 1.72742 1.74308 1.75801 1.77609 1.77987 1.78542 1.78893 1.82384 1.83524 1.84784 1.85265 1.86130 1.87033 1.87539 1.89142 1.90331 1.90504 1.91354 1.92716 1.93668 1.94252 1.94905 1.95419 1.98729 1.99287 2.02571 2.02739 2.03820 2.06017 2.06906 2.08188 2.08663 2.10366 2.10716 2.12440 2.14724 2.16915 2.20561 2.23763 2.24465 2.26217 2.28073 2.30990 2.33357 2.33906 2.37690 2.39070 2.40114 2.40608 2.43045 2.43853 2.45690 2.46015 2.47142 2.47418 2.48706 2.51177 2.51410 2.53023 2.55858 2.57911 2.58598 2.59178 2.59668 2.64890 2.66383 2.66489 2.68588 2.71191 2.71331 2.72294 2.73095 2.75078 2.78455 2.78792 2.84234 2.90394 2.92682 2.93938 2.96910 3.03060 3.03587 3.17331 3.22623 3.23367 3.24780 3.25744 3.27799 3.32045 3.37145 3.47441 3.53204 3.68074 3.73707 3.75735 3.79517 3.94484 4.04078 4.08877 4.10547 4.13751 4.14547 4.16409 4.18974 4.22835 4.27393 4.29901 4.37315 4.41139 4.41997 4.68686 4.77193 2.3712 -10.8077 8.4291 13.9097 -79.3258 -134.6525 -127.7916 -14.3230 9.3701 10.4970 34.5975 -20.7292 -13.8683 -14.3230 9.3701 10.4970 -53.3749 -191.9163 94.5199 -193.7768 -149.6262 124.2761 -181.5299 -61.9164 39.5517 15.6139 -7252.3742 -829.1382 -782.5900 -421.6680 290.5004 -69.7661 126.0786 -275.0379 154.5049 -1928.0634 -1955.4552 -251.0185 94.2927 -84.8168 24.1398 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4031,.4956,-.6978;2.3882,1.1208,-.676;2.3543,2.6251,-.291;2.2708,.8895,-2.207;1.3143,.2122,.2243;7.7293,-.9284,.9975;-.592,1.1251,-.9021;-1.8943,1.1641,-1.089;3.9586,.4882,-.1674;4.4805,.843,1.0847;4.6785,-.3553,-1.0218;6.4837,-.4696,.6168;5.7331,.3643,1.4717;5.9356,-.8229,-.634;-.0188,.2787,.0087;-.8555,-.5699,.7746;-2.2221,-.5302,.5675;-2.7202,.3679,-.3886;7.9066,-1.9154,1.0891;8.4774,-.282,1.1884;3.9111,1.484,1.7526;4.2599,-.6343,-1.9849;6.1387,.6377,2.4417;6.4998,-1.4681,-1.3015;-.4307,-1.2429,1.5144;-2.8885,-1.1787,1.1306; 0.000000 6.820085 0.000000 7.096675 1.553155 0.000000 6.853776 1.552770 2.586546 0.000000 5.798174 1.670190 2.677492 2.699091 0.000000 12.332715 5.960385 6.570915 6.585423 6.561324 0.000000 3.868120 2.988819 3.362196 3.155004 2.395013 8.778884 0.000000 2.625689 4.302571 4.563063 4.321262 3.595193 10.066967 1.316152 0.000000 8.378470 1.767687 2.674839 2.677577 2.687370 4.193082 4.653292 5.963349 0.000000 9.067291 2.748614 3.096577 3.964856 3.341104 3.701354 5.455020 6.742784 1.402150 0.000000 9.127186 2.746604 3.849484 2.958266 3.632273 3.703064 5.475829 6.746474 1.399979 2.431566 0.000000 11.008234 4.579630 5.239467 5.250594 5.228915 1.380929 7.410475 8.704478 2.812197 2.440186 2.440577 0.000000 10.366578 4.046341 4.431000 5.078945 4.594014 2.425029 6.798568 8.085344 2.418854 1.395663 2.801311 1.410536 0.000000 10.422682 4.045208 4.983152 4.340237 4.813042 2.426874 6.817396 8.090897 2.417776 2.801169 1.396196 1.410501 2.425754 0.000000 4.446116 2.640434 3.350690 3.244186 1.352059 7.903648 1.369109 2.346486 3.986796 4.660477 4.850686 6.573587 5.935676 6.089516 0.000000 3.986092 3.935028 4.652525 4.560013 2.371140 8.595109 2.398716 2.749335 5.018169 5.528531 5.822261 7.341520 6.690868 6.940282 1.416602 0.000000 2.722155 5.052419 5.624589 5.468030 3.629678 9.968563 2.748960 2.392078 6.306933 6.861278 7.083424 8.706074 8.056184 8.250898 2.412638 1.382767 0.000000 1.715797 5.171622 5.554741 5.337507 4.083750 10.620422 2.316502 1.344093 6.683526 7.365214 7.460949 9.296433 8.655581 8.740839 2.731907 2.389557 1.403209 0.000000 12.670237 6.541144 7.303989 7.105909 6.980954 1.007011 9.243169 10.501638 4.789934 4.398542 4.160565 2.082876 3.172983 2.836773 8.294210 8.870365 10.236245 10.969357 0.000000 13.041083 6.520878 6.937699 7.170955 7.244609 1.006955 9.413000 10.716762 4.780314 4.153545 4.395621 2.082525 2.833623 3.173947 8.596057 9.346488 10.720347 11.326796 1.733100 0.000000 8.723995 2.889568 2.811063 4.326969 3.270600 4.579051 5.239755 6.471451 2.163377 1.086776 3.416022 3.424065 2.156833 3.887928 4.465302 5.281623 6.563372 7.057312 5.287692 4.928272 0.000000 8.830707 2.880375 4.138110 2.515495 3.778138 4.584481 5.273429 6.473858 2.157380 3.413747 1.086601 3.426519 3.887876 2.160729 4.807862 5.812624 6.967184 7.230136 4.938561 5.289711 4.310208 0.000000 11.000286 4.900983 5.073314 6.052618 5.326635 2.658627 7.531357 8.790403 3.403339 2.152502 3.887653 2.162248 1.086360 3.410894 6.630529 7.290823 8.647506 9.303992 3.387231 2.808247 2.480522 4.974205 0.000000 11.094754 4.898795 5.912677 4.925684 5.660497 2.662320 7.561590 8.799637 3.401647 3.887491 2.152543 2.162635 3.411155 1.086323 6.874587 7.695247 8.969010 9.445247 2.809648 3.393666 4.974250 2.485835 4.309983 0.000000 4.867818 4.281522 5.096757 5.068936 2.612780 8.182402 3.387145 3.835746 5.009106 5.353082 5.772767 7.015172 6.370064 6.732203 2.179915 1.086531 2.147871 3.384956 8.375222 8.965753 5.132705 5.883679 6.895973 7.484096 0.000000 2.905190 6.032849 6.631469 6.483473 4.518751 10.621546 3.835752 3.376918 7.165585 7.641395 7.910185 9.412983 8.765209 9.005875 3.408459 2.151861 1.087069 2.174473 10.820295 11.401373 7.328841 7.816818 9.301019 9.702499 2.488375 0.000000 1.2331719 0.1291763 0.1251342 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.3552,.503,-.6479;2.3422,1.1429,-.7313;2.31,2.5703,-.3565;2.2453,.8877,-2.18;1.378,.2231,.1804;7.681,-.9559,1.0355;-.5375,1.1455,-.9012;-1.8584,1.171,-1.0585;3.9256,.5036,-.1971;4.4369,.8624,1.0523;4.6535,-.3385,-1.0372;6.4288,-.4732,.6254;5.6687,.3653,1.4623;5.8995,-.8103,-.6322;.0366,.2872,-.0041;-.787,-.5822,.7737;-2.1428,-.5441,.5977;-2.6324,.3689,-.3493;7.8846,-1.9396,1.0305;8.4029,-.3287,1.3428;3.8664,1.5132,1.7046;4.2477,-.6013,-2.006;6.0642,.6265,2.439;6.479,-1.4522,-1.2885;-.3318,-1.2575,1.4887;-2.8106,-1.1883,1.1586; 0.000000 6.728450 0.000000 6.984575 1.476099 0.000000 6.786890 1.474244 2.482100 0.000000 5.799461 1.614578 2.581850 2.601000 0.000000 12.240557 6.002409 6.574082 6.579138 6.469074 0.000000 3.879707 2.884705 3.230348 3.073351 2.385280 8.701122 0.000000 2.617037 4.213455 4.452724 4.263627 3.592706 9.995420 1.330516 0.000000 8.293092 1.789213 2.628059 2.627370 2.590676 4.213318 4.563671 5.885799 0.000000 8.962188 2.765440 3.070042 3.905369 3.244352 3.718934 5.351716 6.646931 1.396840 0.000000 9.056286 2.762270 3.796843 2.934138 3.539308 3.720553 5.400634 6.684625 1.394469 2.419660 0.000000 10.902710 4.599216 5.214515 5.217704 5.117986 1.403235 7.312998 8.614940 2.810091 2.435921 2.435971 0.000000 10.244527 4.059790 4.410238 5.025841 4.480374 2.444815 6.686661 7.978777 2.410597 1.390125 2.788022 1.407573 0.000000 10.338437 4.059437 4.938468 4.316494 4.708721 2.444582 6.732891 8.018252 2.410748 2.788275 1.392504 1.405478 2.412911 0.000000 4.443957 2.564604 3.241210 3.158124 1.355546 7.814256 1.367900 2.341792 3.899852 4.561757 4.772282 6.468006 5.820408 5.997711 0.000000 3.991360 3.877227 4.561452 4.481024 2.384874 8.480188 2.419231 2.752977 4.932531 5.427053 5.739087 7.218104 6.561046 6.836431 1.427925 0.000000 2.746385 4.972654 5.516990 5.387065 3.627461 9.842086 2.770995 2.401126 6.209240 6.743637 6.993144 8.571905 7.911603 8.140078 2.408859 1.367723 0.000000 1.753597 5.048968 5.410546 5.235705 4.047857 10.489927 2.301417 1.321146 6.561195 7.223794 7.352425 9.152327 8.496493 8.617641 2.692468 2.360416 1.403609 0.000000 12.593448 6.582069 7.303293 7.078330 6.909107 1.004514 9.174978 10.438665 4.811393 4.442729 4.156762 2.105623 3.226320 2.824981 8.223126 8.780859 10.133206 10.855414 0.000000 12.939208 6.572620 6.958052 7.197654 7.141773 1.004506 9.334826 10.644703 4.807278 4.151153 4.440966 2.105350 2.823416 3.224845 8.496378 9.210912 10.574116 11.186047 1.720777 0.000000 8.611016 2.897177 2.790611 4.255513 3.190564 4.592933 5.130265 6.365937 2.153858 1.083718 3.400745 3.417045 2.150466 3.871989 4.369242 5.187580 6.447313 6.911049 5.340556 4.909473 0.000000 8.779174 2.880648 4.066277 2.501431 3.700679 4.600363 5.212462 6.428360 2.143963 3.395773 1.082767 3.420200 3.870707 2.158539 4.746642 5.751063 6.900740 7.142969 4.923214 5.343614 4.287723 0.000000 10.867711 4.916323 5.068158 5.998950 5.217694 2.662327 7.416740 8.677329 3.396677 2.150925 3.873574 2.152061 1.085611 3.394639 6.512719 7.153445 8.492010 9.136268 3.447085 2.753824 2.481068 4.956274 0.000000 11.027882 4.915145 5.867696 4.918808 5.566440 2.663048 7.491974 8.743443 3.396520 3.873907 2.153191 2.150373 3.395147 1.085694 6.795642 7.602925 8.872316 9.339031 2.755189 3.447804 4.957617 2.493515 4.288058 0.000000 4.883850 4.223809 5.003560 4.970138 2.612906 8.031197 3.395341 3.836197 4.905994 5.236831 5.663680 6.860451 6.216105 6.597450 2.179441 1.083675 2.140670 3.363971 8.257313 8.785093 5.034700 5.797807 6.735024 7.357851 0.000000 2.917103 5.963040 6.530188 6.404514 4.526959 10.494842 3.854426 3.374694 7.076520 7.532772 7.826625 9.282358 8.625803 8.900272 3.411038 2.147236 1.084266 2.174949 10.722267 11.247870 7.223491 7.757469 9.148459 9.610167 2.501657 0.000000 1.2370626 0.1324188 0.1278130 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4034,.5502,-.4518;2.3599,1.1353,-.8259;2.3339,2.5738,-.4515;2.3246,.855,-2.2836;1.375,.2073,.0737;7.6493,-.9622,1.1035;-.5873,1.192,-.8713;-1.9201,1.2319,-.9582;3.9382,.5016,-.2447;4.4202,.8716,1.015;4.6939,-.341,-1.0618;6.4172,-.4741,.6533;5.6349,.3663,1.468;5.9319,-.8073,-.6231;.0252,.2862,-.0534;-.7657,-.6134,.727;-2.1313,-.5596,.629;-2.6577,.4018,-.2513;7.9055,-1.9251,.9724;8.3074,-.3608,1.5677;3.8352,1.5309,1.6474;4.322,-.5997,-2.0467;5.9995,.6238,2.4582;6.5365,-1.4413,-1.2653;-.2718,-1.3235,1.3809;-2.7779,-1.2212,1.1944; 0.000000 6.798905 0.000000 7.034714 1.486621 0.000000 6.979654 1.484847 2.512221 0.000000 5.812448 1.624985 2.606862 2.622644 0.000000 12.246462 6.008364 6.570734 6.567123 6.464905 0.000000 3.892434 2.948059 3.258692 3.253845 2.390251 8.739676 0.000000 2.624497 4.283174 4.489386 4.462847 3.601803 10.031940 1.336304 0.000000 8.344361 1.797371 2.628784 2.624079 2.599583 4.211021 4.620521 5.946664 0.000000 8.950514 2.775511 3.066024 3.908033 3.255845 3.714555 5.360560 6.650079 1.398599 0.000000 9.161221 2.771780 3.799730 2.921720 3.550339 3.716081 5.502459 6.799291 1.395981 2.420471 0.000000 10.925065 4.608711 5.213782 5.209703 5.120916 1.399653 7.359552 8.661356 2.811373 2.435154 2.434982 0.000000 10.221895 4.071722 4.410612 5.027045 4.485038 2.440466 6.698433 7.982108 2.414594 1.391376 2.790323 1.407933 0.000000 10.425516 4.071150 4.940329 4.304966 4.720166 2.440272 6.823367 8.119443 2.414809 2.790639 1.393761 1.405621 2.416332 0.000000 4.454334 2.601664 3.274408 3.253437 1.358124 7.811837 1.365432 2.344633 3.923613 4.560757 4.817394 6.475775 5.812893 6.034048 0.000000 3.997157 3.903710 4.599437 4.557434 2.383895 8.430623 2.417857 2.752878 4.930901 5.401992 5.751607 7.184594 6.517332 6.835028 1.429659 0.000000 2.749974 5.016020 5.560926 5.508155 3.631922 9.800423 2.775412 2.402784 6.223213 6.717125 7.034921 8.548982 7.866048 8.163599 2.414854 1.370230 0.000000 1.763480 5.103390 5.447394 5.399961 4.050479 10.484791 2.301200 1.316398 6.596664 7.205623 7.433353 9.161849 8.468991 8.682243 2.692645 2.359580 1.405771 0.000000 12.635854 6.584347 7.301340 7.033923 6.928296 1.005024 9.232661 10.499372 4.807212 4.468852 4.118458 2.102874 3.263745 2.773104 8.248714 8.773198 10.135060 10.885418 0.000000 12.902430 6.583315 6.954904 7.218277 7.114196 1.005012 9.352759 10.654519 4.808100 4.115128 4.468984 2.102765 2.771443 3.262188 8.464105 9.115371 10.482670 11.141032 1.721313 0.000000 8.558289 2.906952 2.783327 4.265174 3.206404 4.588933 5.100709 6.324800 2.156373 1.084747 3.403098 3.416852 2.151032 3.875363 4.354128 5.158813 6.403661 6.858428 5.382021 4.856398 0.000000 8.944210 2.889712 4.070401 2.482246 3.719109 4.596365 5.356532 6.595735 2.146487 3.398318 1.084068 3.419883 3.874291 2.159042 4.818770 5.794628 6.986112 7.276155 4.869596 5.385536 4.292151 0.000000 10.802564 4.928900 5.070030 6.003603 5.219706 2.659412 7.402314 8.646559 3.401410 2.153710 3.876379 2.153561 1.086172 3.398168 6.489611 7.091929 8.417660 9.074036 3.512470 2.662458 2.482789 4.960386 0.000000 11.149493 4.927111 5.868992 4.904073 5.581384 2.660645 7.605138 8.874458 3.401139 3.876619 2.155780 2.151841 3.398734 1.086201 6.844771 7.614248 8.916131 9.431827 2.667425 3.511232 4.961284 2.494634 4.291556 0.000000 4.892847 4.223968 5.033557 4.991589 2.600806 7.934242 3.391107 3.836503 4.868035 5.193048 5.620544 6.781887 6.144278 6.539757 2.176405 1.084257 2.146312 3.366464 8.209549 8.635043 5.008657 5.777109 6.654526 7.305461 0.000000 2.913769 6.002665 6.575852 6.514832 4.532489 10.430873 3.858671 3.374498 7.081327 7.498344 7.854510 9.241287 8.565634 8.907044 3.418576 2.153368 1.084197 2.176785 10.708857 11.124883 7.177255 7.829387 9.057870 9.636271 2.515119 0.000000 1.1940224 0.1317613 0.1266114 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4381,.6045,-.3618;2.3606,1.0994,-.8591;2.3287,2.5559,-.4875;2.3422,.7958,-2.3316;1.3523,.1599,.0193;7.6468,-.9434,1.126;-.5997,1.1934,-.8796;-1.9462,1.2566,-.9346;3.9494,.4778,-.2579;4.4268,.8697,.9989;4.7211,-.3646,-1.0623;6.4301,-.4676,.6644;5.6375,.3745,1.4722;5.9644,-.811,-.6192;.0042,.2747,-.0799;-.7825,-.6228,.7135;-2.149,-.543,.6562;-2.6666,.4405,-.213;8.0892,-1.739,.6981;8.1186,-.5027,1.8974;3.8388,1.5408,1.6187;4.3658,-.6276,-2.0543;5.9884,.6405,2.4657;6.5852,-1.4292,-1.2619;-.2722,-1.3468,1.3402;-2.8008,-1.1875,1.234; 0.000000 6.834792 0.000000 7.043732 1.503500 0.000000 7.063286 1.503591 2.549273 0.000000 5.819971 1.634275 2.636558 2.628864 0.000000 12.274124 6.004802 6.567382 6.566411 6.485537 0.000000 3.917727 2.961794 3.253571 3.304741 2.384593 8.751674 0.000000 2.638756 4.310275 4.490321 4.533719 3.604536 10.055375 1.349119 0.000000 8.389164 1.808990 2.645431 2.642827 2.631147 4.195836 4.646825 5.985219 0.000000 8.972705 2.788286 3.074890 3.929827 3.303998 3.697524 5.375801 6.671090 1.400425 0.000000 9.236917 2.785075 3.818802 2.935378 3.576782 3.699106 5.547157 6.862712 1.397173 2.420542 0.000000 10.969078 4.619282 5.223992 5.223307 5.156917 1.385540 7.386496 8.700094 2.810340 2.431764 2.431673 0.000000 10.243791 4.086410 4.421216 5.050250 4.529918 2.427729 6.715938 8.005195 2.419376 1.391030 2.794608 1.410600 0.000000 10.501591 4.085994 4.957048 4.316778 4.756264 2.427640 6.868265 8.182454 2.419048 2.794234 1.393424 1.408018 2.426174 0.000000 4.463478 2.615273 3.282316 3.287544 1.356606 7.832402 1.359448 2.344912 3.954450 4.591032 4.860292 6.511291 5.844075 6.082262 0.000000 4.003278 3.913846 4.607274 4.587956 2.377408 8.445445 2.422810 2.757280 4.954417 5.426464 5.788746 7.214435 6.541199 6.879893 1.433196 0.000000 2.755588 5.032864 5.564311 5.557917 3.627506 9.815182 2.788189 2.410439 6.250464 6.734595 7.083975 8.579413 7.882746 8.217435 2.418015 1.370009 0.000000 1.785323 5.111135 5.431701 5.450028 4.035375 10.491589 2.298513 1.305956 6.616277 7.208997 7.479763 9.183906 8.473644 8.730751 2.679253 2.353512 1.410970 0.000000 12.788660 6.580195 7.282552 6.973662 7.032244 1.005902 9.305089 10.599458 4.792253 4.506578 4.041338 2.090527 3.328226 2.666654 8.368247 8.941683 10.307916 11.012170 0.000000 12.806295 6.581788 6.968921 7.275758 7.053296 1.005919 9.305715 10.602591 4.794617 4.039802 4.507997 2.091035 2.665724 3.326953 8.387925 8.980296 10.342416 11.030129 1.722664 0.000000 8.561933 2.918786 2.783349 4.289438 3.263090 4.573225 5.105094 6.329772 2.159552 1.086312 3.405359 3.414505 2.148705 3.880383 4.380909 5.182397 6.412676 6.847331 5.447052 4.750798 0.000000 9.049421 2.903826 4.091393 2.489566 3.741781 4.580217 5.417760 6.681723 2.149948 3.401185 1.085988 3.417339 3.880385 2.156074 4.871942 5.845168 7.056664 7.347504 4.761756 5.451097 4.297694 0.000000 10.803144 4.942272 5.077770 6.027666 5.263956 2.655939 7.409377 8.654402 3.406142 2.154625 3.881163 2.160489 1.086739 3.409462 6.513386 7.107108 8.419716 9.062224 3.633219 2.483527 2.479633 4.967023 0.000000 11.245457 4.940047 5.882094 4.908953 5.616935 2.658022 7.658126 8.950173 3.404712 3.880152 2.156000 2.158634 3.409843 1.086566 6.900002 7.670463 8.986148 9.496945 2.489905 3.631929 4.966036 2.489196 4.305298 0.000000 4.905083 4.213336 5.033557 4.990801 2.579506 7.932078 3.389287 3.841187 4.868756 5.206727 5.627532 6.793359 6.156692 6.559081 2.173117 1.085055 2.153252 3.367567 8.395165 8.451488 5.031478 5.792292 6.664095 7.334950 0.000000 2.904949 6.020874 6.579464 6.564910 4.532047 10.450987 3.870512 3.377386 7.110889 7.518406 7.907520 9.276435 8.585016 8.966930 3.425294 2.159470 1.083570 2.182315 10.917154 10.960961 7.188625 7.904863 9.061369 9.715225 2.535899 0.000000 1.1875055 0.1307231 0.1256150 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4384,.6658,-.2928;2.3659,1.0713,-.8746;2.3082,2.5199,-.4971;2.3557,.7879,-2.3466;1.3547,.1208,-.0138;7.6395,-.9193,1.1352;-.5922,1.2068,-.8676;-1.9427,1.2932,-.8964;3.9513,.466,-.2672;4.4177,.861,.992;4.7313,-.3761,-1.0626;6.4332,-.4609,.6717;5.6383,.3964,1.4654;5.9649,-.8308,-.6065;.0078,.2613,-.0997;-.7827,-.6413,.6888;-2.1466,-.5417,.653;-2.6612,.4725,-.1839;8.1851,-1.5744,.6012;8.0112,-.6047,2.0156;3.825,1.5342,1.6041;4.3753,-.6593,-2.0481;5.9894,.6906,2.4507;6.5782,-1.4681,-1.2375;-.2729,-1.3837,1.2935;-2.8011,-1.1885,1.2246; 0.000000 6.841205 0.000000 6.999789 1.498179 0.000000 7.098793 1.499000 2.534350 0.000000 5.825369 1.633069 2.626495 2.624629 0.000000 12.264882 5.984313 6.550918 6.554038 6.473073 0.000000 3.926375 2.961254 3.205326 3.324623 2.387205 8.734544 0.000000 2.643227 4.314386 4.442370 4.564492 3.609173 10.041935 1.353544 0.000000 8.392149 1.802418 2.640259 2.640712 2.631696 4.181913 4.642506 5.984928 0.000000 8.950997 2.781792 3.069095 3.924692 3.307827 3.683669 5.355107 6.648891 1.399650 0.000000 9.260787 2.779425 3.818119 2.940569 3.570503 3.685483 5.557308 6.881616 1.396519 2.418659 0.000000 10.972285 4.613153 5.221741 5.224485 5.157447 1.371168 7.382868 8.700048 2.810766 2.431449 2.431316 0.000000 10.232485 4.079144 4.410202 5.045743 4.540165 2.417581 6.702134 7.990829 2.419194 1.389137 2.794617 1.413040 0.000000 10.515050 4.079472 4.960885 4.321349 4.744524 2.417788 6.871343 8.192977 2.418957 2.794792 1.391557 1.410654 2.430075 0.000000 4.468789 2.610978 3.248282 3.292134 1.356881 7.820535 1.357858 2.346092 3.952345 4.582437 4.862582 6.511644 5.845487 6.077465 0.000000 4.004577 3.910378 4.577529 4.594074 2.375484 8.438556 2.423719 2.756996 4.954886 5.421553 5.791536 7.218108 6.550467 6.873338 1.435750 0.000000 2.757735 5.029736 5.526476 5.570990 3.625275 9.805219 2.790297 2.410230 6.248746 6.721081 7.090589 8.580153 7.883161 8.213736 2.419283 1.368022 0.000000 1.791067 5.109528 5.383787 5.472252 4.034793 10.477592 2.299414 1.302893 6.612995 7.186397 7.492718 9.182035 8.462059 8.734134 2.678649 2.351765 1.411979 0.000000 12.851927 6.560547 7.246213 6.946365 7.064499 1.006031 9.323869 10.631979 4.779414 4.503007 4.016594 2.077065 3.334243 2.634591 8.410076 9.016654 10.383351 11.065627 0.000000 12.725432 6.559853 6.971445 7.276853 6.996740 1.006050 9.252760 10.543349 4.779173 4.013637 4.503902 2.077715 2.633596 3.333752 8.323386 8.893502 10.248993 10.949778 1.723618 0.000000 8.522737 2.913292 2.772593 4.280591 3.273785 4.559495 5.072310 6.291026 2.158333 1.085864 3.403149 3.413486 2.145136 3.880523 4.369691 5.177023 6.393288 6.811365 5.447862 4.718937 0.000000 9.083994 2.899902 4.097056 2.502450 3.724387 4.566789 5.436219 6.712385 2.148886 3.399250 1.085405 3.416326 3.879919 2.152716 4.870174 5.839165 7.060116 7.366695 4.729771 5.453061 4.295594 0.000000 10.782694 4.932774 5.058343 6.018887 5.280040 2.654225 7.388838 8.630405 3.404572 2.151050 3.881206 2.165106 1.086604 3.414920 6.516735 7.123130 8.422838 9.045457 3.656782 2.440300 2.472406 4.966519 0.000000 11.261061 4.931852 5.889411 4.914141 5.595273 2.656590 7.662035 8.963629 3.403377 3.881092 2.152679 2.163486 3.415462 1.086517 6.888751 7.653528 8.975193 9.499542 2.444286 3.658089 4.966691 2.482689 4.313892 0.000000 4.905964 4.206091 5.010696 4.987531 2.573296 7.927582 3.388705 3.840561 4.868411 5.208818 5.622165 6.797748 6.175791 6.544093 2.173912 1.084743 2.151734 3.366278 8.488473 8.351944 5.040201 5.770355 6.697605 7.304143 0.000000 2.902039 6.017573 6.543839 6.576583 4.529723 10.444408 3.872203 3.375553 7.110393 7.507720 7.913793 9.279334 8.590262 8.962260 3.427182 2.158791 1.083230 2.182234 11.010654 10.856902 7.173729 7.905130 9.072285 9.701056 2.536635 0.000000 1.1937910 0.1308019 0.1257356 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4248,.5931,-.4149;2.3657,1.1009,-.8209;2.3109,2.5412,-.4348;2.3265,.838,-2.2894;1.3622,.1489,.0412;7.6446,-.9359,1.0989;-.5784,1.1689,-.906;-1.926,1.2302,-.9768;3.945,.4835,-.2435;4.4344,.8687,1.0094;4.7034,-.3692,-1.0485;6.4371,-.4709,.6578;5.6621,.4005,1.4581;5.9342,-.8439,-.6081;.0164,.2743,-.074;-.7829,-.6098,.7268;-2.1455,-.5357,.646;-2.6561,.4302,-.2469;8.2003,-1.5559,.5343;8.0137,-.6585,1.9927;3.8576,1.5455,1.6316;4.3258,-.6552,-2.0243;6.037,.7053,2.4311;6.5198,-1.5041,-1.2416;-.2841,-1.3185,1.3787;-2.8037,-1.1729,1.2246; 0.000000 6.821624 0.000000 7.011840 1.492151 0.000000 7.010942 1.492297 2.518050 0.000000 5.821932 1.629950 2.617200 2.614617 0.000000 12.259702 5.974994 6.549062 6.550534 6.462513 0.000000 3.920211 2.946114 3.233125 3.234379 2.388172 8.721625 0.000000 2.639293 4.296490 4.468096 4.467635 3.607980 10.029761 1.350863 0.000000 8.372326 1.791297 2.634557 2.632672 2.619940 4.183721 4.622737 5.963546 0.000000 8.977261 2.771935 3.064675 3.914910 3.300644 3.683705 5.374664 6.673121 1.399188 0.000000 9.200632 2.770866 3.817214 2.940555 3.552398 3.685542 5.503004 6.819940 1.396550 2.416612 0.000000 10.966508 4.607946 5.224143 5.224583 5.149669 1.367050 7.372321 8.689453 2.816675 2.434927 2.434670 0.000000 10.261141 4.068209 4.404051 5.035982 4.534308 2.417711 6.717321 8.012218 2.418793 1.388387 2.791900 1.414384 0.000000 10.459968 4.069541 4.961507 4.320992 4.723364 2.418216 6.822986 8.137534 2.418999 2.792572 1.390722 1.412255 2.427249 0.000000 4.465653 2.600167 3.245624 3.249975 1.356550 7.812169 1.358809 2.345537 3.937883 4.587633 4.830324 6.505125 5.851259 6.046155 0.000000 4.001761 3.903356 4.566188 4.567462 2.376381 8.442017 2.423193 2.755817 4.948772 5.430157 5.771406 7.221686 6.564568 6.852440 1.435873 0.000000 2.755909 5.018112 5.522216 5.522811 3.624662 9.808717 2.787507 2.408296 6.238933 6.737933 7.057331 8.582843 7.905326 8.182200 2.418252 1.366979 0.000000 1.784156 5.098846 5.400277 5.400355 4.038398 10.477655 2.301557 1.306096 6.601333 7.214299 7.446036 9.182402 8.491159 8.691730 2.682574 2.353390 1.410948 0.000000 12.841894 6.552704 7.239515 6.943074 7.064697 1.006030 9.304022 10.610752 4.782464 4.504073 4.017737 2.074019 3.335239 2.635817 8.408163 9.034999 10.396616 11.064220 0.000000 12.731067 6.550671 6.975107 7.274608 6.978735 1.005979 9.250146 10.544290 4.781081 4.013761 4.504518 2.074306 2.633896 3.335062 8.312549 8.887367 10.248799 10.956517 1.722517 0.000000 8.584568 2.904865 2.766522 4.268353 3.272167 4.558705 5.124377 6.352438 2.156689 1.085244 3.400635 3.415781 2.144060 3.877748 4.390934 5.196041 6.429655 6.870329 5.448087 4.718117 0.000000 8.984513 2.893762 4.099176 2.509425 3.700791 4.565931 5.350584 6.613348 2.147783 3.396725 1.084680 3.418379 3.876513 2.151333 4.820680 5.802547 7.001567 7.285865 4.729682 5.453149 4.292750 0.000000 10.842602 4.920389 5.046501 6.005694 5.279672 2.655702 7.423870 8.677444 3.402791 2.148491 3.878269 2.165233 1.086382 3.412797 6.535212 7.151592 8.466387 9.100376 3.659413 2.441246 2.468717 4.962863 0.000000 11.174407 4.921347 5.893249 4.916064 5.565919 2.658183 7.592249 8.881341 3.402434 3.878968 2.150521 2.163818 3.413460 1.086415 6.842613 7.616083 8.921248 9.430197 2.445519 3.661583 4.964114 2.479343 4.313189 0.000000 4.900757 4.208721 4.991995 4.991966 2.579193 7.942789 3.390248 3.839293 4.874817 5.213863 5.627317 6.812632 6.190144 6.545114 2.176568 1.084465 2.148181 3.365560 8.529606 8.346574 5.041855 5.768070 6.720052 7.293354 0.000000 2.904311 6.006420 6.535056 6.535266 4.527891 10.451685 3.869826 3.375109 7.102373 7.523579 7.884697 9.284699 8.613871 8.934006 3.425360 2.155973 1.083532 2.181028 11.032282 10.856782 7.206124 7.851896 9.118124 9.649841 2.528512 0.000000 1.2086590 0.1310934 0.1262015 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4062,.6212,-.4549;2.3574,1.0879,-.7988;2.2847,2.5228,-.4019;2.3098,.8384,-2.2672;1.3639,.1292,.0642;7.6563,-.9261,1.0827;-.5586,1.1449,-.9155;-1.9007,1.2226,-.9973;3.9397,.4809,-.2336;4.4382,.8676,1.0158;4.6959,-.3712,-1.0422;6.4436,-.4656,.6513;5.6697,.4029,1.4559;5.9308,-.8406,-.6101;.0207,.2491,-.0718;-.7941,-.6128,.7352;-2.1548,-.5246,.6392;-2.6499,.436,-.2665;8.2147,-1.5358,.5096;8.0302,-.6514,1.9753;3.8631,1.5407,1.6432;4.3135,-.6589,-2.0153;6.0505,.7109,2.4258;6.5122,-1.5025,-1.246;-.3124,-1.3166,1.405;-2.823,-1.1501,1.2196; 0.000000 6.788383 0.000000 6.956087 1.490590 0.000000 6.959645 1.490178 2.513398 0.000000 5.814259 1.628161 2.606630 2.614051 0.000000 12.258108 5.972813 6.553826 6.551350 6.461018 0.000000 3.910264 2.918914 3.201078 3.185782 2.384890 8.704403 0.000000 2.633154 4.264813 4.422957 4.414587 3.602746 10.013910 1.346771 0.000000 8.349970 1.786462 2.633695 2.630545 2.616665 4.186364 4.597885 5.936566 0.000000 8.969165 2.769643 3.063763 3.912640 3.301784 3.684874 5.364188 6.660264 1.399643 0.000000 9.174824 2.767065 3.820856 2.942309 3.546325 3.686063 5.470340 6.786503 1.397072 2.415865 0.000000 10.960027 4.605767 5.228367 5.225532 5.147956 1.367047 7.353881 8.671464 2.819320 2.435586 2.435422 0.000000 10.257748 4.064990 4.404896 5.033870 4.533347 2.419141 6.705642 7.999993 2.419384 1.387902 2.790702 1.414449 0.000000 10.440965 4.064927 4.964822 4.321607 4.717138 2.418766 6.793229 8.107903 2.419241 2.790985 1.389946 1.412390 2.425508 0.000000 4.458976 2.586958 3.225619 3.226044 1.355406 7.811277 1.360139 2.344326 3.929168 4.591235 4.814953 6.502857 5.853923 6.033764 0.000000 3.998308 3.895813 4.539151 4.555764 2.378597 8.463281 2.422787 2.755864 4.954112 5.444860 5.775563 7.239634 6.582613 6.861890 1.434556 0.000000 2.752845 5.002808 5.484516 5.498917 3.624868 9.829345 2.784242 2.407287 6.238264 6.748905 7.055698 8.598641 7.921504 8.187673 2.415974 1.367018 0.000000 1.775982 5.077580 5.359470 5.363229 4.039146 10.483041 2.301597 1.309243 6.589863 7.216082 7.430653 9.184102 8.496105 8.681985 2.684254 2.355387 1.409998 0.000000 12.840098 6.550036 7.243415 6.943653 7.064205 1.006007 9.283720 10.592395 4.784870 4.504969 4.018193 2.074161 3.336358 2.636870 8.406226 9.058687 10.419491 11.069326 0.000000 12.735323 6.549925 6.981189 7.276069 6.978592 1.005986 9.238569 10.534226 4.784749 4.016321 4.505707 2.074808 2.636939 3.335850 8.315854 8.911037 10.273079 10.966929 1.721836 0.000000 8.580731 2.904430 2.763710 4.265807 3.275931 4.559315 5.123990 6.347804 2.156687 1.085043 3.400016 3.415824 2.143179 3.875985 4.401573 5.210708 6.441237 6.876590 5.448480 4.720178 0.000000 8.950244 2.890927 4.103942 2.513991 3.694002 4.565463 5.310488 6.572094 2.147919 3.396110 1.084437 3.418418 3.875074 2.150152 4.798968 5.801317 6.993150 7.262729 4.728941 5.453354 4.292538 0.000000 10.846581 4.917231 5.045764 6.002744 5.280096 2.657446 7.418411 8.671801 3.403042 2.147615 3.877183 2.165014 1.086498 3.411465 6.542907 7.173424 8.487989 9.111625 3.661021 2.444965 2.466917 4.961531 0.000000 11.151071 4.916528 5.898060 4.917568 5.557300 2.657898 7.557407 8.846680 3.402484 3.877510 2.149493 2.163309 3.411915 1.086531 6.825401 7.622210 8.923419 9.416043 2.445746 3.661425 4.962497 2.477416 4.312135 0.000000 4.896213 4.215028 4.975047 5.000576 2.588099 7.984782 3.391817 3.839389 4.898646 5.243141 5.653835 6.850999 6.224539 6.577636 2.177905 1.084390 2.146698 3.365955 8.576780 8.388506 5.065220 5.790594 6.755707 7.323791 0.000000 2.906446 5.993277 6.496804 6.515999 4.527922 10.482607 3.866922 3.375603 7.106783 7.539085 7.890274 9.309239 8.636771 8.948359 3.422295 2.154070 1.083809 2.180394 11.067231 10.890931 7.219762 7.850889 9.146472 9.661756 2.522948 0.000000 1.2287307 0.1313277 0.1266232 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4068,.5848,-.4778;2.3595,1.1051,-.7927;2.2978,2.5404,-.3949;2.3113,.8548,-2.2609;1.3646,.1502,.0747;7.6506,-.9397,1.0794;-.5646,1.1474,-.9149;-1.9055,1.2091,-1.0072;3.9407,.4904,-.2307;4.4465,.8783,1.0155;4.6883,-.3707,-1.0382;6.44,-.4712,.6499;5.6756,.406,1.4539;5.9212,-.8471,-.6086;.0204,.265,-.0599;-.7902,-.6054,.741;-2.1516,-.5321,.6358;-2.6521,.4183,-.277;8.2036,-1.5535,.5054;8.0302,-.6636,1.9692;3.8788,1.5586,1.6419;4.3011,-.6591,-2.0093;6.0613,.7138,2.4219;6.4965,-1.5145,-1.2443;-.3059,-1.3039,1.4145;-2.8162,-1.1625,1.2151; 0.000000 6.793566 0.000000 6.984456 1.490738 0.000000 6.955904 1.490174 2.514674 0.000000 5.814020 1.629141 2.608610 2.616806 0.000000 12.252739 5.973427 6.552690 6.548807 6.458432 0.000000 3.907605 2.927038 3.225605 3.188811 2.386582 8.707707 0.000000 2.631813 4.271660 4.451400 4.413438 3.603503 10.014512 1.345412 0.000000 8.351657 1.787147 2.632263 2.628661 2.616340 4.186286 4.604140 5.941162 0.000000 8.983092 2.770663 3.060848 3.910866 3.303542 3.684545 5.376830 6.674440 1.399745 0.000000 9.162276 2.767903 3.821355 2.940595 3.543536 3.685574 5.469316 6.780459 1.397291 2.415827 0.000000 10.956204 4.606062 5.226751 5.222776 5.145509 1.367366 7.357526 8.672706 2.818924 2.434908 2.434786 0.000000 10.267316 4.066029 4.402694 5.031931 4.533498 2.419041 6.715793 8.010934 2.419675 1.387831 2.790797 1.414212 0.000000 10.427552 4.065737 4.964849 4.319496 4.714194 2.418453 6.792491 8.102059 2.419487 2.790965 1.389792 1.412196 2.425762 0.000000 4.458299 2.591239 3.236799 3.231210 1.355826 7.808332 1.360881 2.344713 3.930522 4.596001 4.811517 6.500538 5.856055 6.029694 0.000000 3.997674 3.898609 4.552239 4.556663 2.378710 8.454247 2.421840 2.755446 4.952441 5.449774 5.764981 7.232021 6.583193 6.850019 1.433902 0.000000 2.751929 5.007167 5.504614 5.498363 3.625519 9.820763 2.782792 2.406618 6.238022 6.757875 7.043653 8.591841 7.925624 8.174226 2.415973 1.367439 0.000000 1.773913 5.084721 5.386976 5.363007 4.041011 10.480020 2.301323 1.309985 6.593393 7.229982 7.421846 9.182409 8.505748 8.672524 2.685686 2.356057 1.409586 0.000000 12.828092 6.550278 7.242169 6.940578 7.061132 1.006001 9.284081 10.588344 4.784491 4.504428 4.017324 2.074293 3.336149 2.636151 8.401866 9.046720 10.406295 11.061042 0.000000 12.736674 6.550744 6.979563 7.273578 6.977166 1.005993 9.244899 10.539564 4.784820 4.016159 4.505347 2.075133 2.636894 3.335629 8.314803 8.905672 10.269580 10.969366 1.721893 0.000000 8.607596 2.905355 2.759001 4.264321 3.280360 4.559051 5.142943 6.371575 2.156704 1.085091 3.400044 3.415225 2.143037 3.876008 4.410967 5.224352 6.461345 6.901803 5.448030 4.720078 0.000000 8.928634 2.891735 4.105644 2.512893 3.690657 4.564865 5.304452 6.558693 2.148186 3.396211 1.084487 3.417801 3.875218 2.149856 4.793641 5.786979 6.975016 7.246340 4.727858 5.452890 4.292742 0.000000 10.863027 4.918373 5.043343 6.001002 5.280758 2.657518 7.431399 8.687572 3.403408 2.147731 3.877341 2.165082 1.086557 3.411757 6.546291 7.177011 8.496786 9.126651 3.661049 2.445074 2.466924 4.961741 0.000000 11.129982 4.917411 5.898578 4.915623 5.554042 2.657472 7.553458 8.835608 3.402841 3.877533 2.149540 2.163323 3.412130 1.086579 6.819818 7.606888 8.904523 9.400489 2.444796 3.661003 4.962558 2.477229 4.312348 0.000000 4.895382 4.216550 4.983172 5.001802 2.588417 7.971900 3.391407 3.839026 4.894841 5.244642 5.641681 6.839938 6.221236 6.563378 2.177478 1.084413 2.146791 3.366258 8.561557 8.378994 5.075092 5.776061 6.754799 7.306615 0.000000 2.906689 5.996819 6.515952 6.514874 4.528038 10.470099 3.865520 3.375304 7.104817 7.546644 7.875425 9.299170 8.638793 8.931264 3.421927 2.154015 1.083834 2.179970 11.049564 10.884005 7.239420 7.829886 9.153561 9.638461 2.522190 0.000000 1.2214209 0.1313317 0.1266155 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4078,.5886,-.4671;2.3602,1.1072,-.7957;2.2971,2.5422,-.3955;2.316,.8587,-2.2646;1.3645,.1496,.0685;7.6485,-.9423,1.0832;-.5681,1.1527,-.9103;-1.9081,1.2156,-.9983;3.9416,.4918,-.2317;4.4482,.8827,1.0131;4.6876,-.3731,-1.0366;6.4388,-.4717,.6518;5.6766,.4096,1.453;5.9197,-.8506,-.6056;.0198,.2628,-.0641;-.7888,-.6108,.7343;-2.1508,-.5357,.6339;-2.654,.4203,-.2711;8.2011,-1.5571,.5099;8.0304,-.6612,1.9704;3.8821,1.5669,1.6368;4.3,-.6636,-2.007;6.0629,.7195,2.4201;6.4943,-1.5202,-1.2396;-.3032,-1.3137,1.4022;-2.8135,-1.1696,1.2115; 0.000000 6.795736 0.000000 6.984078 1.491110 0.000000 6.965121 1.490391 2.515500 0.000000 5.813624 1.629546 2.609606 2.617584 0.000000 12.251550 5.974691 6.554822 6.548802 6.458391 0.000000 3.906115 2.930876 3.225709 3.199757 2.387315 8.710664 0.000000 2.631283 4.274492 4.450538 4.424241 3.603420 10.015921 1.344390 0.000000 8.353224 1.788185 2.633494 2.628623 2.617027 4.186509 4.608094 5.943969 0.000000 8.983606 2.771629 3.060298 3.910238 3.307412 3.684763 5.379175 6.675287 1.399649 0.000000 9.163781 2.768812 3.824228 2.941081 3.540874 3.685699 5.474174 6.784492 1.397326 2.415725 0.000000 10.955513 4.606848 5.228193 5.222306 5.145358 1.367845 7.360375 8.674144 2.818669 2.434627 2.434530 0.000000 10.267117 4.067201 4.402975 5.031499 4.536425 2.419239 6.718192 8.011700 2.419805 1.387942 2.790893 1.414075 0.000000 10.428123 4.066794 4.967692 4.319742 4.712163 2.418567 6.796830 8.105403 2.419620 2.791010 1.389828 1.412128 2.425944 0.000000 4.457784 2.593343 3.239059 3.235651 1.355927 7.808057 1.361432 2.344672 3.932025 4.599471 4.810243 6.500397 5.858575 6.028352 0.000000 3.997336 3.899781 4.554188 4.559872 2.378620 8.451012 2.421430 2.755134 4.952301 5.452878 5.760509 7.229363 6.584776 6.845152 1.433370 0.000000 2.751391 5.009133 5.506080 5.504316 3.625744 9.817988 2.782107 2.406296 6.238728 6.760295 7.041321 8.589785 7.926700 8.171114 2.415845 1.367732 0.000000 1.772726 5.088095 5.388072 5.372782 4.041828 10.480051 2.301285 1.310650 6.596051 7.232104 7.423888 9.182867 8.507131 8.673743 2.686383 2.356417 1.409275 0.000000 12.827384 6.551305 7.244417 6.940367 7.060249 1.006002 9.287579 10.590539 4.784523 4.504475 4.017241 2.074620 3.336244 2.636036 8.400910 9.042340 10.402863 11.061298 0.000000 12.736201 6.552070 6.980664 7.273191 6.979177 1.005979 9.247846 10.540872 4.785078 4.016476 4.505464 2.075545 2.637132 3.335718 8.316405 8.905526 10.269270 10.970374 1.721885 0.000000 8.608378 2.905891 2.755635 4.263130 3.287292 4.559435 5.144209 6.371284 2.156498 1.085148 3.399908 3.415089 2.143241 3.876101 4.417059 5.231933 6.466936 6.904627 5.448240 4.720611 0.000000 8.931066 2.892353 4.109188 2.513964 3.685954 4.565031 5.310351 6.564253 2.148249 3.396160 1.084557 3.417645 3.875381 2.149908 4.790905 5.780407 6.971563 7.248826 4.727790 5.453031 4.292604 0.000000 10.862192 4.919522 5.042914 6.000401 5.284869 2.657692 7.432980 8.687280 3.403528 2.147913 3.877410 2.165060 1.086528 3.411897 6.549712 7.180307 8.498819 9.127715 3.661176 2.445357 2.467305 4.961876 0.000000 11.130958 4.918445 5.901867 4.916086 5.551076 2.657413 7.558448 8.839880 3.402998 3.877543 2.149668 2.163315 3.412224 1.086547 6.817612 7.600440 8.900344 9.401803 2.444506 3.660875 4.962610 2.477409 4.312382 0.000000 4.894930 4.217223 4.986141 5.002471 2.588594 7.966754 3.391321 3.838750 4.893628 5.248903 5.633850 6.835638 6.223394 6.555108 2.177149 1.084437 2.146885 3.366399 8.554416 8.378380 5.086154 5.764910 6.759955 7.295707 0.000000 2.906937 5.998329 6.517587 6.519915 4.527938 10.465303 3.864864 3.375281 7.104561 7.548756 7.871172 9.295452 8.639164 8.925931 3.421550 2.153976 1.083846 2.179715 11.043748 10.882340 7.245685 7.824115 9.155338 9.631531 2.521706 0.000000 1.2185818 0.1313121 0.1265824 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4071,.589,-.4683;2.3597,1.1103,-.7926;2.2964,2.5447,-.3888;2.3162,.8647,-2.2624;1.3643,.1498,.069;7.6469,-.9465,1.0837;-.5685,1.156,-.9059;-1.9075,1.2188,-.9946;3.9421,.4941,-.2298;4.4528,.8896,1.0118;4.6838,-.3763,-1.0328;6.4381,-.4727,.6523;5.6809,.4147,1.4512;5.9155,-.8554,-.6025;.0197,.2618,-.0638;-.7889,-.6152,.73;-2.1512,-.5399,.6292;-2.6545,.4197,-.2715;8.1989,-1.5607,.5092;8.0341,-.6583,1.9664;3.8903,1.579,1.6331;4.2933,-.6695,-2.0013;6.0703,.7278,2.4161;6.4871,-1.529,-1.235;-.3038,-1.3213,1.395;-2.8138,-1.1765,1.204; 0.000000 6.794624 0.000000 6.983425 1.491481 0.000000 6.964046 1.490775 2.516572 0.000000 5.813053 1.629637 2.610279 2.617761 0.000000 12.250177 5.975427 6.556238 6.549307 6.457728 0.000000 3.904894 2.930726 3.225428 3.200981 2.387201 8.710446 0.000000 2.630907 4.273386 4.449482 4.424093 3.602683 10.014771 1.343455 0.000000 8.353158 1.788974 2.634053 2.629153 2.617735 4.186453 4.608732 5.943750 0.000000 8.987765 2.772341 3.057937 3.909752 3.312820 3.684912 5.381646 6.677441 1.399544 0.000000 9.159435 2.769291 3.827043 2.942366 3.536872 3.685752 5.472686 6.781694 1.397342 2.415791 0.000000 10.954548 4.607291 5.228971 5.222465 5.144972 1.368142 7.360225 8.673134 2.818320 2.434448 2.434395 0.000000 10.270522 4.068078 4.401949 5.031392 4.540197 2.419329 6.720160 8.013315 2.419836 1.388093 2.791105 1.413964 0.000000 10.424047 4.067393 4.970293 4.320733 4.708964 2.418596 6.795552 8.102824 2.419605 2.791135 1.389864 1.412124 2.426158 0.000000 4.457319 2.593592 3.240439 3.235931 1.355806 7.807111 1.361898 2.344498 3.932744 4.604727 4.806208 6.499842 5.862408 6.024818 0.000000 3.997220 3.899960 4.555869 4.559206 2.378808 8.449743 2.421185 2.754908 4.953193 5.460757 5.754547 7.228833 6.590878 6.839747 1.432889 0.000000 2.751037 5.009249 5.507415 5.503755 3.626061 9.817063 2.781613 2.406056 6.239764 6.767772 7.036008 8.589569 7.932762 8.166243 2.415700 1.368071 0.000000 1.771791 5.088254 5.388910 5.372999 4.042232 10.479585 2.301289 1.311266 6.597096 7.237494 7.420445 9.182840 8.511545 8.670606 2.686879 2.356788 1.409007 0.000000 12.825301 6.551711 7.245653 6.940461 7.059071 1.006010 9.287060 10.588991 4.784208 4.504392 4.016993 2.074726 3.336172 2.635754 8.399315 9.040078 10.400967 11.060132 0.000000 12.738469 6.552812 6.980504 7.273018 6.981333 1.005979 9.249147 10.541719 4.784977 4.016601 4.505451 2.075710 2.637138 3.335667 8.318594 8.909351 10.273396 10.973439 1.721862 0.000000 8.616454 2.906307 2.749745 4.261799 3.296841 4.559805 5.148422 6.375689 2.156342 1.085206 3.399922 3.415080 2.143543 3.876276 4.426715 5.246452 6.480503 6.914149 5.448355 4.721011 0.000000 8.923669 2.892606 4.113179 2.516098 3.679188 4.565150 5.307470 6.559701 2.148382 3.396276 1.084632 3.417621 3.875663 2.149998 4.783819 5.769925 6.961873 7.242249 4.727581 5.453065 4.292609 0.000000 10.868104 4.920439 5.040889 6.000008 5.290431 2.657805 7.435890 8.690213 3.403574 2.148116 3.877601 2.165047 1.086507 3.412079 6.555647 7.189962 8.508405 9.134537 3.661174 2.445436 2.467789 4.962137 0.000000 11.124646 4.919023 5.905295 4.917451 5.546307 2.657317 7.556346 8.836167 3.403032 3.877646 2.149765 2.163360 3.412363 1.086529 6.812165 7.591862 8.892302 9.396466 2.444095 3.660670 4.962759 2.477591 4.312469 0.000000 4.894755 4.218117 4.988853 5.001916 2.589404 7.965630 3.391340 3.838552 4.895196 5.259325 5.626964 6.835548 6.231673 6.548760 2.176883 1.084456 2.147077 3.366594 8.552033 8.383735 5.104792 5.752640 6.772799 7.285321 0.000000 2.907303 5.998420 6.519064 6.519139 4.528150 10.463944 3.864416 3.375333 7.105526 7.557090 7.864931 9.295013 8.645995 8.920028 3.421217 2.154028 1.083878 2.179533 11.041262 10.887023 7.260972 7.812952 9.166400 9.621825 2.521425 0.000000 1.2177970 0.1313070 0.1266028 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4064,.5891,-.4695;2.3592,1.1149,-.7887;2.2956,2.5483,-.3798;2.3169,.8734,-2.2596;1.3642,.1506,.0693;7.6445,-.9524,1.0847;-.5694,1.1606,-.9;-1.9071,1.2231,-.9894;3.9428,.4975,-.2272;4.4591,.8991,1.0099;4.6785,-.3806,-1.0275;6.437,-.4743,.6531;5.6867,.4217,1.4487;5.9096,-.8622,-.5981;.0196,.2605,-.0636;-.7888,-.6212,.7239;-2.1515,-.5457,.6228;-2.6553,.4187,-.2718;8.1957,-1.5656,.5082;8.0388,-.655,1.9611;3.9016,1.5956,1.6278;4.2842,-.6774,-1.9934;6.0804,.7391,2.4103;6.4769,-1.5414,-1.2284;-.3041,-1.3315,1.3848;-2.8136,-1.1862,1.194; 0.000000 6.793517 0.000000 6.983114 1.491932 0.000000 6.963322 1.491212 2.517865 0.000000 5.812274 1.629788 2.611208 2.618005 0.000000 12.248081 5.976431 6.558219 6.549903 6.456735 0.000000 3.903106 2.931119 3.225704 3.203396 2.387202 8.710478 0.000000 2.630330 4.272417 4.448703 4.424704 3.601768 10.013381 1.342120 0.000000 8.353157 1.790012 2.634842 2.629710 2.618599 4.186420 4.610010 5.943766 0.000000 8.993433 2.773275 3.054823 3.908874 3.320122 3.685126 5.385393 6.680636 1.399393 0.000000 9.153490 2.769949 3.830934 2.944111 3.531199 3.685831 5.471010 6.778147 1.397368 2.415841 0.000000 10.953089 4.607904 5.230107 5.222584 5.144357 1.368545 7.360375 8.671974 2.817893 2.434212 2.434216 0.000000 10.275089 4.069237 4.400591 5.031037 4.545311 2.419469 6.723206 8.015746 2.419884 1.388291 2.791358 1.413817 0.000000 10.418309 4.068204 4.973911 4.322055 4.704371 2.418648 6.794107 8.099488 2.419603 2.791277 1.389906 1.412123 2.426428 0.000000 4.456654 2.594176 3.242618 3.236608 1.355675 7.805727 1.362571 2.344282 3.933735 4.611915 4.800564 6.499012 5.867649 6.019794 0.000000 3.997004 3.900322 4.558319 4.558598 2.379031 8.447511 2.420805 2.754566 4.954173 5.471182 5.745993 7.227657 6.598857 6.831808 1.432213 0.000000 2.750504 5.009640 5.509532 5.503498 3.626481 9.815306 2.780863 2.405686 6.241029 6.777700 7.028450 8.588853 7.940704 8.159108 2.415495 1.368524 0.000000 1.770402 5.088965 5.390644 5.374096 4.042898 10.478855 2.301299 1.312151 6.598697 7.244918 7.415825 9.182777 8.517586 8.666260 2.687641 2.357313 1.408616 0.000000 12.822264 6.552222 7.247314 6.940445 7.057383 1.006019 9.286671 10.587064 4.783768 4.504218 4.016622 2.074815 3.336019 2.635353 8.397046 9.036542 10.397941 11.058481 0.000000 12.741205 6.553768 6.980350 7.272596 6.984113 1.005977 9.251171 10.542952 4.784825 4.016734 4.505380 2.075882 2.637120 3.335557 8.321409 8.913944 10.278381 10.977395 1.721766 0.000000 8.627543 2.906816 2.741794 4.259702 3.309863 4.560314 5.154561 6.381981 2.156096 1.085280 3.399893 3.415067 2.143941 3.876481 4.440001 5.266049 6.498837 6.927270 5.448439 4.721516 0.000000 8.913565 2.892967 4.118680 2.519137 3.669650 4.565308 5.303853 6.553758 2.148549 3.396389 1.084729 3.417582 3.876006 2.150104 4.773918 5.755148 6.948326 7.233355 4.727260 5.453050 4.292561 0.000000 10.876078 4.921629 5.038127 5.999213 5.298036 2.657984 7.440211 8.694421 3.403628 2.148372 3.877821 2.165030 1.086474 3.412307 6.563801 7.202833 8.521165 9.143847 3.661127 2.445546 2.468420 4.962445 0.000000 11.115767 4.919802 5.910043 4.919330 5.539509 2.657202 7.553722 8.831233 3.403087 3.877755 2.149886 2.163418 3.412531 1.086501 6.804440 7.579482 8.880731 9.389038 2.443545 3.660361 4.962925 2.477814 4.312575 0.000000 4.894425 4.219329 4.992575 5.001305 2.590469 7.963336 3.391355 3.838249 4.896918 5.273015 5.616909 6.834720 6.242414 6.539256 2.176523 1.084480 2.147296 3.366847 8.548096 8.390145 5.129831 5.735172 6.789834 7.270166 0.000000 2.907812 5.998702 6.521331 6.518523 4.528375 10.461315 3.863730 3.375382 7.106548 7.568021 7.855909 9.293745 8.654785 8.911234 3.420734 2.154059 1.083920 2.179255 11.037159 10.892473 7.281528 7.797200 9.180980 9.607696 2.520928 0.000000 1.2163923 0.1313025 0.1266273 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4069,.5916,-.4682;2.3591,1.1208,-.7825;2.2954,2.5519,-.365;2.3181,.8874,-2.255;1.3639,.1498,.0675;7.6405,-.9615,1.0874;-.5704,1.1691,-.8907;-1.9073,1.2323,-.9795;3.9437,.5008,-.2229;4.468,.9121,1.0072;4.6699,-.3893,-1.0183;6.4354,-.4771,.655;5.6951,.4319,1.4451;5.9002,-.8741,-.59;.0192,.259,-.0649;-.7889,-.6311,.7127;-2.1519,-.5544,.6124;-2.6559,.4196,-.2711;8.1935,-1.5678,.5054;8.0484,-.6439,1.9504;3.9177,1.6193,1.6196;4.2696,-.6924,-1.9799;6.0958,.757,2.4011;6.4608,-1.5623,-1.2164;-.3043,-1.3487,1.3656;-2.8138,-1.2014,1.1766; 0.000000 6.793912 0.000000 6.983907 1.492109 0.000000 6.964582 1.491511 2.518656 0.000000 5.812419 1.629670 2.612510 2.616993 0.000000 12.246331 5.977177 6.559263 6.551270 6.455338 0.000000 3.902681 2.931848 3.225131 3.206857 2.387182 8.710437 0.000000 2.630581 4.272370 4.447704 4.427150 3.601220 10.012298 1.341352 0.000000 8.354648 1.791211 2.635111 2.630875 2.619684 4.185974 4.611840 5.944841 0.000000 9.002371 2.773828 3.048254 3.907071 3.331590 3.685408 5.390091 6.685324 1.399052 0.000000 9.146213 2.770576 3.836114 2.947964 3.521269 3.685950 5.468601 6.774271 1.397303 2.416076 0.000000 10.952612 4.608316 5.230195 5.223324 5.143791 1.368905 7.360753 8.671495 2.817106 2.434103 2.434131 0.000000 10.282788 4.070087 4.396417 5.030165 4.553717 2.419575 6.727199 8.019676 2.419589 1.388572 2.791713 1.413673 0.000000 10.411466 4.068934 4.978197 4.325122 4.696630 2.418715 6.792142 8.095997 2.419325 2.791589 1.389986 1.412183 2.426755 0.000000 4.456901 2.594737 3.244831 3.236723 1.355564 7.803942 1.363102 2.344246 3.935043 4.622462 4.791462 6.498272 5.875786 6.012064 0.000000 3.997402 3.900595 4.561370 4.557042 2.379204 8.444238 2.420616 2.754367 4.955183 5.486597 5.731828 7.226210 6.611207 6.819089 1.431743 0.000000 2.750623 5.010125 5.512139 5.502906 3.626821 9.812421 2.780509 2.405497 6.242392 6.791857 7.015995 8.587805 7.952434 8.147654 2.415416 1.368845 0.000000 1.770404 5.089539 5.391814 5.375433 4.043069 10.477123 2.301118 1.312529 6.600254 7.254408 7.408135 9.182290 8.525518 8.659214 2.687902 2.357447 1.408317 0.000000 12.821124 6.551967 7.246879 6.940381 7.055887 1.006046 9.286860 10.586406 4.782371 4.503526 4.015776 2.074364 3.335273 2.634489 8.395303 9.033523 10.395509 11.057262 0.000000 12.747961 6.553728 6.976437 7.270984 6.989840 1.005994 9.254308 10.546106 4.783574 4.016242 4.504709 2.075432 2.636426 3.334890 8.327302 8.923577 10.288097 10.984023 1.721286 0.000000 8.643717 2.906514 2.727655 4.255286 3.330232 4.561086 5.162079 6.390275 2.155583 1.085306 3.399854 3.415288 2.144649 3.876803 4.459364 5.295145 6.525298 6.944530 5.448113 4.721665 0.000000 8.900262 2.893367 4.126837 2.525800 3.652934 4.565566 5.298735 6.546660 2.148726 3.396604 1.084796 3.417661 3.876417 2.150303 4.757904 5.730814 6.926382 7.219328 4.726578 5.452465 4.292349 0.000000 10.888856 4.922496 5.031491 5.997354 5.310892 2.658082 7.446073 8.700819 3.403376 2.148686 3.878128 2.164965 1.086428 3.412557 6.576771 7.223347 8.540741 9.156830 3.660468 2.445039 2.469518 4.962803 0.000000 11.104361 4.920597 5.916316 4.923674 5.527971 2.657085 7.550169 8.825638 3.402927 3.878025 2.150052 2.163496 3.412725 1.086463 6.792448 7.559609 8.862294 9.377468 2.442676 3.659571 4.963198 2.478213 4.312654 0.000000 4.894786 4.219767 4.996838 4.998592 2.591013 7.959110 3.391335 3.838067 4.897878 5.292817 5.598785 6.832884 6.258501 6.522645 2.176117 1.084493 2.147546 3.366890 8.544041 8.402753 5.167055 5.704680 6.816699 7.244259 0.000000 2.908288 5.999085 6.524401 6.517269 4.528643 10.457429 3.863393 3.375396 7.107669 7.584126 7.841093 9.292156 8.668315 8.897225 3.420488 2.154177 1.083929 2.179081 11.033812 10.903963 7.311969 7.771495 9.204086 9.585142 2.520895 0.000000 1.2148793 0.1312766 0.1266466 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.3875,.5268,-.5797;2.3699,1.1486,-.7243;2.3083,2.563,-.2757;2.3168,.9654,-2.1934;1.3722,.1749,.1168;7.6166,-1.0351,1.0828;-.5418,1.1366,-.9392;-1.8871,1.169,-1.0729;3.9264,.504,-.1916;4.4766,.9006,1.0352;4.6293,-.4086,-.987;6.4229,-.5172,.6586;5.701,.4032,1.4523;5.8517,-.9138,-.5703;.03,.2929,-.0442;-.7891,-.5905,.7428;-2.1437,-.5451,.5975;-2.6344,.3785,-.3494;8.2212,-1.4469,.3895;8.1119,-.5412,1.8088;3.9417,1.6054,1.6604;4.2119,-.72,-1.9367;6.1181,.7246,2.4038;6.381,-1.6305,-1.1937;-.3148,-1.2696,1.4423;-2.814,-1.1765,1.1689; 0.000000 6.787480 0.000000 7.005171 1.485070 0.000000 6.909790 1.481412 2.495999 0.000000 5.812347 1.628143 2.594787 2.618051 0.000000 12.218943 5.963446 6.555109 6.543937 6.433498 0.000000 3.910342 2.919599 3.255430 3.126367 2.388161 8.681262 0.000000 2.628288 4.271248 4.492211 4.355468 3.609233 9.991269 1.352312 0.000000 8.323039 1.766999 2.620066 2.609797 2.593723 4.196454 4.574294 5.917433 0.000000 9.017775 2.756072 3.030428 3.884956 3.317729 3.688992 5.397998 6.709159 1.401784 0.000000 9.074398 2.756665 3.837111 2.948062 3.488219 3.687853 5.397273 6.705231 1.399854 2.413831 0.000000 10.931119 4.595095 5.224024 5.214609 5.126644 1.368578 7.334544 8.654363 2.828106 2.437236 2.436541 0.000000 10.291856 4.048450 4.377305 5.006003 4.535872 2.423816 6.725300 8.033815 2.421091 1.385808 2.785282 1.413647 0.000000 10.340077 4.049741 4.972942 4.319830 4.660825 2.421258 6.724352 8.029915 2.420783 2.785777 1.386705 1.412048 2.418350 0.000000 4.456040 2.582545 3.224458 3.209473 1.356928 7.783945 1.356388 2.345446 3.904881 4.615880 4.747040 6.482235 5.866130 5.968636 0.000000 3.993278 3.893018 4.535960 4.548472 2.376709 8.424266 2.423434 2.756492 4.930168 5.480486 5.690687 7.212843 6.603886 6.777043 1.438983 0.000000 2.751264 4.998851 5.499373 5.474279 3.620961 9.784662 2.784943 2.407167 6.210477 6.790451 6.957266 8.566921 7.947918 8.088674 2.416484 1.363199 0.000000 1.774366 5.077053 5.404414 5.315995 4.038796 10.446683 2.302524 1.306447 6.563948 7.263360 7.334044 9.157192 8.527949 8.586801 2.683250 2.353147 1.410891 0.000000 12.799065 6.497395 7.175264 6.881328 7.043730 1.007912 9.232059 10.543255 4.752803 4.466546 3.984288 2.042236 3.302179 2.611561 8.385165 9.057796 10.406208 11.032852 0.000000 12.770304 6.499455 6.903776 7.202068 6.985627 1.008095 9.233232 10.545541 4.755189 3.986519 4.467874 2.043526 2.613694 3.302631 8.333404 8.964677 10.326896 10.999405 1.687199 0.000000 8.692417 2.892509 2.708079 4.231088 3.321373 4.561813 5.203852 6.452668 2.154810 1.083368 3.396715 3.415431 2.140872 3.869144 4.464288 5.295671 6.541194 6.985031 5.407934 4.692513 0.000000 8.794674 2.890459 4.142539 2.549070 3.616851 4.561670 5.199965 6.443004 2.150624 3.395403 1.083156 3.415482 3.868430 2.143244 4.700578 5.675025 6.844480 7.113255 4.691961 5.410222 4.291834 0.000000 10.922904 4.900520 5.007443 5.970164 5.296870 2.662117 7.463296 8.738956 3.404197 2.144487 3.872774 2.163499 1.087500 3.406012 6.576063 7.224813 8.551816 9.181934 3.632624 2.435409 2.462760 4.955918 0.000000 10.999671 4.902368 5.917335 4.925013 5.483170 2.657738 7.459694 8.730043 3.403717 3.873128 2.145723 2.161516 3.405861 1.087397 6.734668 7.499429 8.778260 9.275088 2.434448 3.632786 4.956489 2.467022 4.307855 0.000000 4.889013 4.213062 4.951870 5.013947 2.586488 7.943044 3.393100 3.839966 4.878892 5.275724 5.575617 6.824795 6.244075 6.496423 2.184103 1.084193 2.140897 3.362626 8.602587 8.466086 5.141161 5.675490 6.803286 7.205080 0.000000 2.904266 5.988521 6.504436 6.497532 4.522968 10.431877 3.867449 3.374328 7.078674 7.581834 7.787161 9.274439 8.664868 8.842373 3.423319 2.150637 1.083648 2.180724 11.065999 10.962995 7.322551 7.695178 9.215302 9.504502 2.515765 0.000000 1.2192239 0.1319744 0.1274349 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4217,.6433,-.2068;2.3511,1.2791,-.7378;2.2888,2.6814,-.1441;2.3808,1.1677,-2.2591;1.3528,.1781,-.0556;7.5537,-1.0679,1.1643;-.656,1.323,-.6484;-1.9372,1.3834,-.6689;4.0056,.6051,-.1793;4.6691,1.1957,.886;4.5295,-.5086,-.8363;6.4111,-.4772,.6904;5.8872,.6626,1.3324;5.7378,-1.0594,-.4083;.0086,.196,-.1521;-.7493,-.8386,.4032;-2.1396,-.7499,.3954;-2.6949,.3846,-.1811;7.9984,-1.7869,.6325;8.0977,-.6165,1.8684;4.2387,2.0799,1.3543;3.9982,-.9408,-1.6843;6.4173,1.1085,2.1666;6.1631,-1.9232,-.9069;-.241,-1.6916,.8438;-2.7546,-1.529,.8332; 0.000000 6.823324 0.000000 7.013412 1.524036 0.000000 7.124710 1.525665 2.602467 0.000000 5.795252 1.635330 2.674010 2.625181 0.000000 12.174529 6.016089 6.594620 6.593664 6.441373 0.000000 3.851986 3.008756 3.281917 3.441003 2.386971 8.740779 0.000000 2.633266 4.290145 4.451819 4.606578 3.557140 9.972288 1.282801 0.000000 8.427488 1.871793 2.694409 2.698555 2.689788 4.146448 4.739836 6.013533 0.000000 9.172918 2.831358 2.989075 3.889534 3.594390 3.677249 5.543204 6.789401 1.386971 0.000000 9.046924 2.819675 3.959247 3.074188 3.342445 3.669009 5.502593 6.739810 1.395132 2.426984 0.000000 10.927473 4.648361 5.259874 5.258128 5.154743 1.370847 7.414577 8.660402 2.777357 2.423010 2.423304 0.000000 10.423231 4.143629 4.382312 5.044667 4.766735 2.408320 6.868271 8.108390 2.414281 1.402592 2.813974 1.409087 0.000000 10.303144 4.128719 5.094971 4.433315 4.569805 2.402266 6.827374 8.058521 2.413134 2.811115 1.395211 1.414031 2.453046 0.000000 4.453136 2.646476 3.372891 3.318323 1.347871 7.762716 1.399279 2.337269 4.018053 4.878286 4.626361 6.492694 6.081126 5.870723 0.000000 4.006835 3.924245 4.681896 4.572858 2.379781 8.341010 2.405663 2.738197 5.003347 5.807853 5.432416 7.175273 6.867392 6.541378 1.397593 0.000000 2.740805 5.056425 5.628044 5.581873 3.641627 9.728920 2.754534 2.392609 6.319003 7.098176 6.786109 8.560063 8.203810 7.924253 2.410172 1.393074 0.000000 1.746255 5.154881 5.487580 5.540266 4.054983 10.438126 2.292652 1.345228 6.704191 7.485020 7.308824 9.188103 8.719014 8.558440 2.710209 2.371301 1.388496 0.000000 12.683445 6.570357 7.291674 6.974811 6.964040 0.998726 9.284941 10.509998 4.724691 4.477040 3.978091 2.058719 3.308568 2.592886 8.269528 8.801972 10.193619 10.941874 0.000000 12.752626 6.588503 6.976383 7.273367 7.058754 0.997703 9.312497 10.542112 4.736041 4.000526 4.478782 2.061977 2.609497 3.308884 8.377158 8.970306 10.343563 11.031022 1.704985 0.000000 8.916438 2.929313 2.531664 4.164176 3.732631 4.575377 5.342406 6.536014 2.140342 1.089233 3.403447 3.420295 2.174149 3.899859 4.869490 5.856834 7.043368 7.301096 5.441337 4.735679 0.000000 8.694124 2.921737 4.291183 2.718775 3.301907 4.557692 5.278161 6.454592 2.157529 3.408930 1.089996 3.417041 3.903788 2.160639 4.422375 5.187243 6.483360 6.986738 4.699497 5.434396 4.291296 0.000000 11.105583 4.999857 4.985847 5.990307 5.608262 2.651914 7.615895 8.826847 3.401877 2.168846 3.898283 2.166441 1.084335 3.433891 6.876128 7.632942 8.933701 9.437615 3.638168 2.426543 2.519913 4.988107 0.000000 10.914007 4.981401 6.065844 5.068273 5.317761 2.637313 7.556723 8.752410 3.402412 3.895350 2.162157 2.168874 3.431738 1.084305 6.552798 7.118595 8.485675 9.182449 2.399351 3.626642 4.984082 2.501251 4.324624 0.000000 4.902416 4.248015 5.147656 4.967628 2.616259 7.826206 3.389148 3.823666 4.935127 5.696254 5.194222 6.763770 6.583018 6.141108 2.148726 1.086269 2.166151 3.373802 8.242689 8.469950 5.878079 4.992637 7.343254 6.643154 0.000000 2.929114 6.035084 6.642146 6.573203 4.536001 10.323959 3.838385 3.377319 7.161051 7.908137 7.542317 9.226958 8.929388 8.595486 3.403173 2.163945 1.084860 2.166606 10.757999 10.939732 7.886804 7.230823 9.636331 9.094457 2.518881 0.000000 1.1248249 0.1310546 0.1257435 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4229,.6606,-.1451;2.3492,1.2724,-.7651;2.2881,2.6822,-.1815;2.3855,1.1425,-2.289;1.3502,.1722,-.0811;7.5603,-1.0469,1.1655;-.663,1.3323,-.6214;-1.9394,1.4008,-.6189;4.0136,.6053,-.1942;4.6654,1.1997,.8746;4.5467,-.5013,-.8536;6.4139,-.4654,.6889;5.8831,.6711,1.331;5.7567,-1.0473,-.4198;.0057,.1868,-.1668;-.7476,-.85,.3834;-2.1396,-.7533,.4009;-2.6986,.3953,-.1405;7.9677,-1.8257,.6928;8.0539,-.6505,1.9354;4.2294,2.0849,1.3377;4.0236,-.9294,-1.7096;6.4055,1.117,2.1694;6.1948,-1.9018,-.9224;-.2362,-1.7141,.7981;-2.7507,-1.5388,.8329; 0.000000 6.827893 0.000000 7.008926 1.526946 0.000000 7.154186 1.529839 2.611788 0.000000 5.794084 1.635961 2.681334 2.624465 0.000000 12.174969 6.021783 6.596723 6.595837 6.450212 0.000000 3.849015 3.016220 3.274803 3.479947 2.385532 8.745053 0.000000 2.634389 4.293033 4.439008 4.643349 3.552499 9.970930 1.278259 0.000000 8.436779 1.881800 2.700191 2.706916 2.700691 4.142168 4.751976 6.020892 0.000000 9.161221 2.838793 2.994151 3.899945 3.599967 3.675886 5.536030 6.774569 1.385847 0.000000 9.072200 2.825381 3.960715 3.071303 3.356720 3.668278 5.527789 6.763290 1.394083 2.427783 0.000000 10.926963 4.653553 5.261836 5.261240 5.161385 1.370982 7.418247 8.658520 2.772637 2.421582 2.422183 0.000000 10.411181 4.152539 4.388216 5.055641 4.773890 2.406624 6.862977 8.094830 2.413628 1.403734 2.816533 1.409092 0.000000 10.325492 4.136557 5.098684 4.433241 4.584610 2.401261 6.849459 8.078507 2.412498 2.813380 1.396568 1.414081 2.456386 0.000000 4.453927 2.651130 3.381706 3.328698 1.347307 7.769726 1.402118 2.336995 4.029721 4.880905 4.643860 6.497835 6.084533 5.887322 0.000000 4.008558 3.926075 4.691533 4.574672 2.379401 8.346986 2.403958 2.736902 5.012009 5.808931 5.448051 7.178317 6.868654 6.556682 1.394691 0.000000 2.740540 5.060876 5.634324 5.595139 3.642475 9.734404 2.752288 2.391638 6.329381 7.095549 6.807591 8.563139 8.201080 7.944247 2.410069 1.395422 0.000000 1.744618 5.161361 5.486177 5.569716 4.055366 10.441736 2.291914 1.347659 6.715634 7.477039 7.335236 9.190489 8.711302 8.581963 2.712436 2.373018 1.387353 0.000000 12.665348 6.579646 7.303686 6.990165 6.955713 0.997954 9.283824 10.501524 4.725642 4.482332 3.981094 2.065175 3.314633 2.594724 8.257286 8.775267 10.168243 10.926894 0.000000 12.716856 6.598049 6.988073 7.293242 7.048612 0.996834 9.298033 10.516600 4.736729 4.003806 4.483502 2.068315 2.612343 3.313885 8.360263 8.939582 10.308887 11.000881 1.712505 0.000000 8.893198 2.935433 2.536416 4.176209 3.736436 4.575258 5.323497 6.507691 2.140683 1.090034 3.404522 3.420082 2.175729 3.902797 4.868806 5.856171 7.035376 7.282610 5.448303 4.739921 0.000000 8.736041 2.922947 4.288374 2.704000 3.318463 4.559378 5.316322 6.494345 2.156765 3.409237 1.090674 3.417793 3.906942 2.163570 4.446279 5.210681 6.516886 7.028789 4.704367 5.441272 4.291157 0.000000 11.082443 5.008945 4.993039 6.003244 5.613735 2.650274 7.602591 8.803044 3.401492 2.170592 3.900392 2.167046 1.083892 3.436449 6.876113 7.630665 8.924412 9.420293 3.644223 2.428151 2.522775 4.990808 0.000000 10.950158 4.988945 6.068331 5.064223 5.336621 2.637142 7.588137 8.784366 3.402013 3.897148 2.163954 2.169690 3.434339 1.083919 6.575602 7.142068 8.516616 9.218481 2.399551 3.631702 4.986485 2.505913 4.326339 0.000000 4.904804 4.248185 5.163166 4.956092 2.616802 7.833589 3.387843 3.822433 4.942082 5.702777 5.203316 6.767136 6.589289 6.151604 2.145444 1.086393 2.168837 3.375447 8.205340 8.435082 5.887654 5.004961 7.349023 6.659811 0.000000 2.930866 6.038718 6.650946 6.581488 4.536597 10.328102 3.836265 3.377431 7.169902 7.905725 7.561256 9.228355 8.926082 8.613173 3.402235 2.165400 1.084976 2.165858 10.723201 10.897023 7.880852 7.261318 9.626891 9.123353 2.520882 0.000000 1.1157863 0.1308580 0.1256379 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4149,.6788,-.1697;2.347,1.2523,-.7491;2.2738,2.642,-.175;2.3647,1.1358,-2.2526;1.365,.1526,-.0623;7.5701,-1.0343,1.1564;-.6281,1.3325,-.6206;-1.9306,1.4097,-.6275;4,.5967,-.1926;4.6551,1.193,.8764;4.5406,-.5063,-.853;6.4152,-.4614,.6837;5.8727,.6717,1.3243;5.7524,-1.0416,-.423;.0201,.1878,-.1576;-.753,-.8512,.3904;-2.1364,-.7444,.3956;-2.6866,.4102,-.1527;7.9854,-1.8131,.6802;8.0668,-.6317,1.9285;4.2186,2.0732,1.3433;4.0205,-.9375,-1.7059;6.3941,1.1222,2.1618;6.1933,-1.8934,-.9295;-.2543,-1.7197,.8095;-2.7563,-1.5254,.8225; 0.000000 6.810958 0.000000 6.970926 1.505343 0.000000 7.107127 1.508157 2.567758 0.000000 5.804843 1.626440 2.652446 2.600628 0.000000 12.179258 6.011663 6.583214 6.589919 6.434077 0.000000 3.869192 2.979032 3.214749 3.414570 2.382527 8.716130 0.000000 2.629843 4.282215 4.404535 4.600591 3.572161 9.970854 1.304717 0.000000 8.415336 1.863230 2.676385 2.684820 2.675281 4.150434 4.705731 6.001754 0.000000 9.144650 2.823653 2.979227 3.878174 3.576078 3.679188 5.493030 6.758673 1.388387 0.000000 9.059378 2.813362 3.938184 3.064257 3.338172 3.673497 5.490959 6.752569 1.394593 2.427217 0.000000 10.923351 4.641059 5.245882 5.251593 5.141765 1.373160 7.384283 8.652823 2.778631 2.423202 2.424362 0.000000 10.395541 4.131107 4.368252 5.031441 4.744608 2.412482 6.817623 8.077404 2.411157 1.398115 2.811162 1.410187 0.000000 10.314956 4.118853 5.072582 4.423218 4.561289 2.408079 6.810775 8.067113 2.410038 2.808227 1.392826 1.414516 2.450154 0.000000 4.462187 2.626310 3.332017 3.284004 1.348704 7.760297 1.394625 2.349251 4.000928 4.854130 4.625963 6.482729 6.056611 5.868607 0.000000 4.008044 3.915793 4.656563 4.544635 2.387171 8.360257 2.409647 2.744899 5.002684 5.801921 5.448545 7.184733 6.862284 6.558781 1.406273 0.000000 2.745306 5.039672 5.589536 5.550503 3.643370 9.740561 2.760625 2.393571 6.308666 7.078756 6.796865 8.561082 8.186142 7.936690 2.413637 1.387529 0.000000 1.749154 5.138338 5.439409 5.518334 4.060807 10.440329 2.303676 1.340167 6.689292 7.454708 7.318634 9.181596 8.689730 8.567229 2.715874 2.371713 1.391569 0.000000 12.676793 6.575043 7.293955 6.992131 6.945900 1.002867 9.261789 10.508251 4.738460 4.490654 3.990687 2.071909 3.324591 2.607458 8.255398 8.795977 10.182063 10.932950 0.000000 12.724566 6.590547 6.978624 7.288372 7.035143 1.002503 9.271407 10.518951 4.748452 4.009521 4.493006 2.075237 2.622675 3.324854 8.353024 8.955620 10.318336 11.002439 1.720633 0.000000 8.875359 2.924812 2.532003 4.152846 3.715820 4.574259 5.281722 6.491259 2.141652 1.087749 3.403028 3.418170 2.168012 3.895420 4.840928 5.846094 7.015891 7.258491 5.452661 4.740006 0.000000 8.725220 2.917414 4.266983 2.709049 3.307786 4.560897 5.285909 6.487501 2.155041 3.407344 1.088064 3.416317 3.898981 2.157760 4.434708 5.214259 6.508567 7.015306 4.709651 5.447505 4.289601 0.000000 11.066474 4.986835 4.974632 5.976873 5.583737 2.654135 7.556279 8.784181 3.398693 2.163588 3.895658 2.166326 1.084522 3.431518 6.846868 7.623135 8.909078 9.397993 3.652865 2.434905 2.511349 4.983476 0.000000 10.942045 4.972136 6.041661 5.058170 5.315139 2.642810 7.552103 8.774909 3.399196 3.892706 2.159083 2.168455 3.429601 1.084626 6.560130 7.146970 8.512337 9.206684 2.410225 3.642815 4.979813 2.497548 4.323203 0.000000 4.901256 4.246075 5.136632 4.938583 2.624493 7.862012 3.391320 3.829872 4.946594 5.708802 5.217952 6.788301 6.597271 6.169201 2.156215 1.085640 2.159809 3.373195 8.241285 8.466240 5.888795 5.021304 7.355652 6.680252 0.000000 2.931510 6.019133 6.607902 6.539363 4.536975 10.343469 3.844405 3.376268 7.154100 7.894403 7.555820 9.234043 8.918456 8.612968 3.406532 2.157454 1.084685 2.168511 10.746551 10.916157 7.865795 7.257024 9.619385 9.126915 2.509582 0.000000 1.1402105 0.1312451 0.1261491 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4007,.6897,-.2013;2.3475,1.2352,-.7323;2.261,2.6089,-.1664;2.3426,1.1353,-2.2196;1.3797,.1357,-.0407;7.576,-1.0238,1.1468;-.5948,1.33,-.6215;-1.9173,1.4132,-.6401;3.9804,.5901,-.1927;4.6416,1.1856,.8777;4.5304,-.5102,-.8527;6.4142,-.4603,.6789;5.859,.6694,1.3167;5.7441,-1.0362,-.4255;.0341,.1947,-.1463;-.7539,-.8498,.402;-2.1256,-.7374,.3932;-2.6655,.4235,-.1677;7.9991,-1.8008,.6678;8.0752,-.6157,1.9191;4.207,2.0611,1.3498;4.0145,-.9449,-1.7032;6.3794,1.124,2.1537;6.1869,-1.8856,-.9363;-.2647,-1.7198,.8272;-2.755,-1.5132,.8152; 0.000000 6.790955 0.000000 6.932734 1.488241 0.000000 7.052920 1.490658 2.528576 0.000000 5.809019 1.619800 2.628512 2.583436 0.000000 12.173443 5.997605 6.570375 6.586611 6.414744 0.000000 3.882186 2.945875 3.162016 3.349619 2.379484 8.684951 0.000000 2.623546 4.269520 4.371828 4.551787 3.586254 9.962660 1.325294 0.000000 8.381681 1.836772 2.651863 2.662362 2.644534 4.162593 4.654428 5.971685 0.000000 9.119910 2.803138 2.963622 3.857641 3.547666 3.682996 5.448683 6.736112 1.391935 0.000000 9.034769 2.797443 3.917844 3.059856 3.317143 3.679345 5.450385 6.731795 1.395962 2.425331 0.000000 10.911336 4.626425 5.232852 5.246434 5.120466 1.373455 7.349908 8.640783 2.790355 2.427001 2.428344 0.000000 10.371317 4.104746 4.348134 5.008744 4.710767 2.417438 6.770787 8.053126 2.411106 1.393238 2.804058 1.411100 0.000000 10.292932 4.097552 5.048294 4.416385 4.535373 2.414186 6.768912 8.046263 2.410304 2.801799 1.390045 1.414353 2.440799 0.000000 4.462594 2.603468 3.284570 3.242351 1.351029 7.748367 1.382108 2.352978 3.966410 4.822874 4.605703 6.466495 6.024547 5.847840 0.000000 4.004061 3.905452 4.623399 4.516846 2.391551 8.364936 2.413372 2.749637 4.984103 5.786297 5.441795 7.184008 6.846538 6.553132 1.418605 0.000000 2.750606 5.016642 5.545624 5.504451 3.638371 9.735016 2.765393 2.395051 6.276114 7.051832 6.775387 8.549050 8.159994 7.917806 2.413313 1.376312 0.000000 1.755783 5.109557 5.389492 5.458746 4.057364 10.426410 2.305544 1.327545 6.648055 7.420742 7.288431 9.161756 8.656214 8.539201 2.709315 2.366412 1.397806 0.000000 12.677213 6.566441 7.284681 6.996750 6.933192 1.006038 9.236818 10.505984 4.754658 4.498354 4.001221 2.075840 3.332112 2.620156 8.251458 8.808556 10.184113 10.926075 0.000000 12.721879 6.577402 6.967899 7.284095 7.016791 1.006099 9.241664 10.512656 4.762439 4.014794 4.501082 2.078785 2.631729 3.332904 8.341591 8.961565 10.315006 10.990746 1.725089 0.000000 8.853172 2.911235 2.527031 4.132076 3.692474 4.572501 5.241923 6.472034 2.143461 1.085479 3.401031 3.417439 2.160279 3.886831 4.809941 5.829484 6.989222 7.226056 5.455179 4.738340 0.000000 8.703010 2.911016 4.250351 2.718292 3.297587 4.562148 5.252655 6.471233 2.153835 3.404876 1.085580 3.415795 3.889438 2.152283 4.423393 5.213323 6.491462 6.989456 4.715054 5.451511 4.288798 0.000000 11.042836 4.959634 4.954689 5.951663 5.548827 2.656831 7.508889 8.759275 3.397919 2.156849 3.889471 2.164781 1.085429 3.423818 6.813016 7.605861 8.882556 9.364281 3.658623 2.440727 2.498737 4.974837 0.000000 10.920991 4.951925 6.017083 5.054843 5.291239 2.647966 7.511974 8.754852 3.398611 3.887235 2.154700 2.166111 3.422207 1.085572 6.542834 7.144125 8.496080 9.180796 2.421718 3.651290 4.972169 2.488448 4.317754 0.000000 4.895861 4.241152 5.109215 4.922686 2.626818 7.877955 3.392471 3.834012 4.939335 5.702250 5.222798 6.798190 6.591419 6.175916 2.168426 1.084917 2.148586 3.368586 8.265728 8.483188 5.879138 5.031419 7.347831 6.690307 0.000000 2.931588 5.998647 6.566275 6.496948 4.532882 10.347838 3.848967 3.373937 7.127823 7.873836 7.540832 9.230411 8.900298 8.602386 3.408832 2.148280 1.084451 2.173715 10.758943 10.923203 7.844169 7.245106 9.601225 9.119394 2.498876 0.000000 1.1629616 0.1318932 0.1268614 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.396,.6705,-.2295;2.3557,1.233,-.7221;2.263,2.6093,-.1563;2.3344,1.1471,-2.2123;1.3866,.1344,-.0239;7.575,-1.024,1.1409;-.5817,1.3288,-.6286;-1.9149,1.4068,-.6572;3.9639,.5905,-.1949;4.6332,1.1806,.8776;4.5207,-.5104,-.8522;6.412,-.4658,.6773;5.8498,.6627,1.3118;5.7347,-1.0346,-.4255;.0394,.212,-.1367;-.7481,-.8419,.4165;-2.1142,-.7379,.3973;-2.6506,.424,-.1808;8.002,-1.798,.6611;8.0758,-.6136,1.9105;4.2039,2.0546,1.3553;4.0082,-.9473,-1.7028;6.3702,1.1188,2.1491;6.1757,-1.8839,-.9398;-.2559,-1.7062,.8492;-2.7478,-1.511,.8177; 0.000000 6.792983 0.000000 6.935908 1.490942 0.000000 7.032618 1.492864 2.523944 0.000000 5.811046 1.622879 2.628903 2.591035 0.000000 12.167805 5.983852 6.565196 6.589528 6.402764 0.000000 3.891249 2.940414 3.155133 3.323407 2.380419 8.671712 0.000000 2.623169 4.274604 4.376255 4.532405 3.594421 9.959940 1.335798 0.000000 8.360420 1.810313 2.640149 2.652379 2.622999 4.175047 4.625560 5.953208 0.000000 9.111168 2.783707 2.954384 3.851413 3.528179 3.685621 5.430084 6.729386 1.395159 0.000000 9.016110 2.782772 3.913362 3.062219 3.305233 3.683094 5.428355 6.717928 1.397883 2.421677 0.000000 10.905390 4.614992 5.231241 5.251491 5.109498 1.370809 7.337424 8.638575 2.805286 2.432053 2.432787 0.000000 10.361073 4.082972 4.337032 5.001192 4.688623 2.418831 6.750717 8.044900 2.414907 1.391657 2.797438 1.411484 0.000000 10.275129 4.080239 5.040260 4.417582 4.520440 2.416697 6.747171 8.033129 2.414556 2.796219 1.389528 1.413674 2.431581 0.000000 4.460042 2.598120 3.269825 3.232611 1.354106 7.742442 1.369273 2.348979 3.943163 4.803133 4.595186 6.460045 6.005111 5.837316 0.000000 4.001494 3.903271 4.615853 4.513255 2.388318 8.356598 2.414950 2.751523 4.962795 5.767335 5.429563 7.174773 6.826231 6.540163 1.427264 0.000000 2.753752 5.011681 5.538016 5.491194 3.632271 9.721908 2.769823 2.398129 6.249698 7.031263 6.755326 8.535142 8.137698 7.897496 2.413571 1.370140 0.000000 1.763437 5.100017 5.377674 5.431416 4.050578 10.411854 2.302061 1.316820 6.616632 7.399094 7.262997 9.146530 8.633694 8.514757 2.698699 2.361931 1.404212 0.000000 12.672697 6.556001 7.282108 7.003694 6.925805 1.005777 9.226022 10.504904 4.769028 4.501952 4.008413 2.074378 3.333262 2.627519 8.251006 8.805581 10.174972 10.914357 0.000000 12.719131 6.562097 6.960524 7.284378 7.003403 1.005751 9.228911 10.511424 4.773953 4.017194 4.503602 2.076306 2.634950 3.333931 8.334084 8.952458 10.302514 10.977548 1.723148 0.000000 8.853585 2.899371 2.521862 4.128711 3.677869 4.570390 5.231073 6.473730 2.145756 1.084618 3.398941 3.418776 2.155972 3.880507 4.792079 5.813230 6.973785 7.211262 5.454375 4.734975 0.000000 8.684413 2.906265 4.252870 2.729086 3.295692 4.562264 5.234668 6.458968 2.154153 3.402475 1.084847 3.416812 3.882132 2.149370 4.421304 5.208203 6.475928 6.966806 4.718219 5.450921 4.289670 0.000000 11.034966 4.936931 4.940255 5.942270 5.525167 2.657004 7.489210 8.752199 3.400538 2.153515 3.883680 2.163090 1.086251 3.416119 6.791610 7.583976 8.860060 9.342686 3.658503 2.442840 2.489756 4.968348 0.000000 10.899130 4.935101 6.009358 5.055888 5.277122 2.650789 7.488704 8.738787 3.401392 3.882437 2.152483 2.163727 3.414833 1.086339 6.533904 7.131964 8.474864 9.154554 2.430111 3.653522 4.966614 2.481400 4.312214 0.000000 4.894196 4.234200 5.097048 4.921816 2.616814 7.865990 3.391357 3.835658 4.916519 5.677863 5.209652 6.784503 6.565423 6.161448 2.176888 1.084671 2.143643 3.366500 8.260517 8.469826 5.855754 5.027020 7.319536 6.678131 0.000000 2.927801 5.995438 6.559940 6.486509 4.528569 10.339317 3.853254 3.373706 7.105513 7.856650 7.524623 9.220296 8.881786 8.586328 3.412876 2.146393 1.084353 2.179536 10.754706 10.915575 7.831200 7.232801 9.582552 9.102529 2.499709 0.000000 1.1675746 0.1322916 0.1271952 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4039,.6215,-.2833;2.3664,1.2323,-.7014;2.2765,2.6066,-.1372;2.333,1.1612,-2.1893;1.3848,.14,.0041;7.5803,-1.0252,1.1253;-.578,1.3332,-.6488;-1.9209,1.396,-.6954;3.9501,.5903,-.1897;4.6313,1.173,.8824;4.5107,-.5112,-.8461;6.4131,-.4735,.6731;5.8474,.6541,1.3085;5.7243,-1.0357,-.4266;.0372,.2413,-.1198;-.7446,-.8219,.4407;-2.1112,-.7374,.4024;-2.6448,.4164,-.2059;8.0108,-1.7953,.6408;8.0881,-.6108,1.8893;4.2092,2.0459,1.3686;3.9982,-.9504,-1.696;6.3701,1.1119,2.1439;6.159,-1.8847,-.9473;-.2423,-1.6723,.8885;-2.7499,-1.5066,.821; 0.000000 6.810549 0.000000 6.970564 1.488397 0.000000 7.022049 1.489922 2.510655 0.000000 5.815761 1.629180 2.626669 2.598610 0.000000 12.178523 5.968096 6.550935 6.580323 6.403057 0.000000 3.908607 2.946569 3.167232 3.297964 2.388051 8.675711 0.000000 2.633383 4.290389 4.403986 4.514698 3.604798 9.972477 1.345162 0.000000 8.354512 1.783854 2.620962 2.634212 2.611689 4.185396 4.611543 5.947543 0.000000 9.126773 2.764472 2.939494 3.836395 3.518318 3.686076 5.432118 6.743242 1.397562 0.000000 9.003867 2.767498 3.900726 3.056714 3.304295 3.684159 5.416295 6.710151 1.399489 2.416423 0.000000 10.914232 4.601621 5.220682 5.245218 5.109571 1.367932 7.340803 8.650054 2.818244 2.435014 2.434842 0.000000 10.374165 4.061006 4.319055 4.984235 4.677666 2.420003 6.751177 8.056840 2.418388 1.389088 2.790554 1.412518 0.000000 10.263897 4.061459 5.023804 4.408479 4.516581 2.419323 6.736556 8.027174 2.418288 2.790462 1.387078 1.414149 2.425139 0.000000 4.460290 2.597196 3.257261 3.224881 1.357085 7.749388 1.360433 2.344973 3.929047 4.793628 4.594170 6.464664 5.997423 5.836841 0.000000 3.999686 3.898994 4.606072 4.507886 2.377044 8.355545 2.420607 2.755603 4.942864 5.751160 5.419516 7.169990 6.810775 6.530364 1.433746 0.000000 2.751953 5.014573 5.543001 5.483774 3.626314 9.722674 2.782623 2.406792 6.233117 7.024330 6.742346 8.532647 8.129938 7.884885 2.417796 1.369668 0.000000 1.772673 5.101245 5.387070 5.409887 4.044521 10.411690 2.303974 1.312712 6.597174 7.395877 7.243745 9.143854 8.629441 8.497058 2.689068 2.358403 1.409262 0.000000 12.681443 6.544265 7.270821 6.999117 6.932148 1.006504 9.231396 10.517070 4.782281 4.504387 4.013782 2.073836 3.335471 2.635196 8.264669 8.811667 10.179900 10.915607 0.000000 12.739196 6.545743 6.945044 7.272931 7.003674 1.006578 9.237013 10.530315 4.784135 4.018034 4.504435 2.074510 2.637781 3.336343 8.341413 8.953198 10.307818 10.983593 1.722636 0.000000 8.884965 2.888448 2.513467 4.118419 3.670367 4.566716 5.243611 6.500829 2.148101 1.084690 3.396314 3.418795 2.150443 3.874911 4.783075 5.798780 6.973317 7.218831 5.453091 4.730197 0.000000 8.663810 2.901086 4.248172 2.734093 3.302917 4.560320 5.220499 6.445388 2.155216 3.399698 1.085255 3.416359 3.875679 2.144311 4.426554 5.203507 6.463209 6.943941 4.719678 5.449439 4.291178 0.000000 11.054903 4.913311 4.918935 5.922610 5.511533 2.658809 7.491673 8.768337 3.402151 2.149051 3.877175 2.163043 1.086633 3.411323 6.781493 7.567081 8.853540 9.342067 3.660972 2.446219 2.478501 4.962265 0.000000 10.876404 4.915288 5.991867 5.045606 5.272343 2.656053 7.472056 8.724188 3.402771 3.876992 2.147894 2.163731 3.410461 1.086638 6.533089 7.121545 8.457763 9.129720 2.441202 3.659294 4.961324 2.470286 4.310455 0.000000 4.894239 4.215367 5.070072 4.912584 2.591142 7.852906 3.392552 3.839417 4.884430 5.643389 5.191151 6.765930 6.532435 6.142912 2.180933 1.084496 2.145493 3.366394 8.257726 8.457125 5.819897 5.018218 7.283682 6.662723 0.000000 2.912747 5.999547 6.565116 6.481828 4.524812 10.345873 3.865469 3.378119 7.092768 7.852763 7.515711 9.222205 8.878005 8.578475 3.421633 2.152751 1.083908 2.182552 10.766047 10.927220 7.832529 7.223636 9.580237 9.090528 2.513950 0.000000 1.1767890 0.1323015 0.1271543 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4068,.5918,-.4689;2.3592,1.1205,-.783;2.2957,2.5518,-.3661;2.3183,.8864,-2.2554;1.3639,.1498,.0673;7.6404,-.9615,1.0883;-.5702,1.169,-.8913;-1.9071,1.2322,-.9803;3.9437,.5006,-.223;4.4681,.9126,1.0069;4.6699,-.3901,-1.0179;6.4353,-.4771,.6556;5.6951,.4324,1.4451;5.9001,-.8748,-.5892;.0193,.259,-.0652;-.789,-.6307,.7126;-2.152,-.554,.6122;-2.6558,.4198,-.2717;8.1933,-1.5682,.5067;8.0483,-.6433,1.9511;3.9179,1.6202,1.6188;4.2695,-.6937,-1.9793;6.0959,.7581,2.4009;6.4606,-1.5635,-1.2152;-.3044,-1.3481,1.3658;-2.8139,-1.2007,1.1766; 0.000000 6.793920 0.000000 6.983892 1.492107 0.000000 6.964617 1.491510 2.518650 0.000000 5.812422 1.629670 2.612520 2.616981 0.000000 12.246293 5.977172 6.559266 6.551284 6.455303 0.000000 3.902686 2.931854 3.225084 3.206913 2.387183 8.710419 0.000000 2.630583 4.272379 4.447666 4.427203 3.601223 10.012278 1.341354 0.000000 8.354649 1.791206 2.635102 2.630877 2.619679 4.185974 4.611840 5.944843 0.000000 9.002455 2.773821 3.048163 3.907038 3.331720 3.685408 5.390119 6.685362 1.399051 0.000000 9.146122 2.770574 3.836175 2.948017 3.521127 3.685949 5.468569 6.774231 1.397304 2.416076 0.000000 10.952591 4.608312 5.230194 5.223335 5.143768 1.368905 7.360744 8.671485 2.817106 2.434103 2.434132 0.000000 10.282852 4.070081 4.396354 5.030144 4.553802 2.419575 6.727217 8.019703 2.419588 1.388573 2.791712 1.413672 0.000000 10.411373 4.068929 4.978243 4.325162 4.696511 2.418715 6.792109 8.095956 2.419325 2.791588 1.389984 1.412185 2.426754 0.000000 4.456903 2.594739 3.244839 3.236714 1.355565 7.803905 1.363100 2.344247 3.935039 4.622580 4.791332 6.498249 5.875869 6.011948 0.000000 3.997404 3.900596 4.561402 4.557011 2.379203 8.444178 2.420616 2.754368 4.955175 5.486781 5.731624 7.226171 6.611343 6.818898 1.431744 0.000000 2.750624 5.010128 5.512160 5.502893 3.626821 9.812362 2.780510 2.405498 6.242387 6.792017 7.015816 8.587769 7.952556 8.147481 2.415417 1.368846 0.000000 1.770405 5.089545 5.391806 5.375453 4.043071 10.477083 2.301120 1.312529 6.600253 7.254503 7.408028 9.182267 8.525589 8.659109 2.687902 2.357447 1.408318 0.000000 12.821039 6.551962 7.246909 6.940408 7.055804 1.006046 9.286830 10.586367 4.782371 4.503527 4.015775 2.074363 3.335273 2.634489 8.395217 9.033375 10.395368 11.057173 0.000000 12.747962 6.553724 6.976420 7.270985 6.989850 1.005994 9.254302 10.546101 4.783575 4.016244 4.504709 2.075432 2.636427 3.334891 8.327313 8.923597 10.288112 10.984027 1.721287 0.000000 8.643879 2.906502 2.727475 4.255221 3.330474 4.561090 5.162132 6.390347 2.155578 1.085306 3.399852 3.415290 2.144653 3.876802 4.459591 5.295504 6.525611 6.944717 5.448116 4.721671 0.000000 8.900111 2.893372 4.126945 2.525904 3.652710 4.565562 5.298686 6.546597 2.148731 3.396606 1.084797 3.417660 3.876417 2.150299 4.757689 5.730476 6.926084 7.219149 4.726573 5.452464 4.292348 0.000000 10.888970 4.922490 5.031399 5.997319 5.311030 2.658082 7.446105 8.700866 3.403375 2.148686 3.878127 2.164964 1.086428 3.412556 6.576911 7.223584 8.540956 9.156956 3.660469 2.445039 2.469524 4.962803 0.000000 11.104216 4.920594 5.916389 4.923732 5.527802 2.657084 7.550122 8.825576 3.402927 3.878024 2.150050 2.163496 3.412723 1.086463 6.792276 7.559321 8.862029 9.377308 2.442674 3.659570 4.963197 2.478208 4.312653 0.000000 4.894786 4.219768 4.996893 4.998538 2.591014 7.959035 3.391336 3.838068 4.897870 5.293062 5.598519 6.832836 6.258689 6.522394 2.176121 1.084493 2.147544 3.366890 8.543847 8.402787 5.167528 5.704246 6.817023 7.243879 0.000000 2.908291 5.999086 6.524429 6.517246 4.528641 10.457356 3.863395 3.375398 7.107660 7.584311 7.840880 9.292110 8.668459 8.897015 3.420489 2.154176 1.083929 2.179084 11.033636 10.903981 7.312334 7.771143 9.204345 9.584819 2.520891 0.000000 1.2148557 0.1312769 0.1266473 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4039,.5978,-.528;2.363,1.1367,-.7255;2.3028,2.5542,-.2627;2.322,.9505,-2.2046;1.3612,.1384,.0804;7.6049,-1.06,1.1219;-.555,1.1779,-.887;-1.8899,1.2422,-.9945;3.9446,.4962,-.1817;4.5028,.934,1.0221;4.6268,-.4383,-.964;6.4233,-.5238,.6781;5.728,.435,1.449;5.8502,-.9469,-.5416;.0197,.2575,-.0615;-.8005,-.6459,.6874;-2.1618,-.567,.5678;-2.648,.4214,-.3087;8.2168,-1.4132,.4043;8.1221,-.4925,1.7731;3.9872,1.6827,1.6142;4.2001,-.7555,-1.9094;6.1621,.7869,2.3805;6.3755,-1.6751,-1.1532;-.3242,-1.3741,1.3346;-2.8349,-1.2204,1.1106; 0.000000 6.791120 0.000000 6.991239 1.492325 0.000000 6.940681 1.491337 2.518562 0.000000 5.815259 1.627759 2.615374 2.608463 0.000000 12.234414 5.976313 6.564404 6.558686 6.442407 0.000000 3.908866 2.922688 3.232780 3.172567 2.384949 8.696380 0.000000 2.636782 4.262712 4.453785 4.392060 3.597746 9.996567 1.340842 0.000000 8.356264 1.790994 2.633889 2.632785 2.621182 4.185529 4.605252 5.937950 0.000000 9.046775 2.770221 3.019206 3.894575 3.374777 3.689052 5.411544 6.710345 1.397236 0.000000 9.100371 2.768137 3.853269 2.963129 3.476718 3.688642 5.428536 6.730026 1.396666 2.417225 0.000000 10.951678 4.605800 5.228477 5.225289 5.140052 1.371401 7.351242 8.661739 2.814824 2.435504 2.435322 0.000000 10.324236 4.067486 4.376396 5.021479 4.585829 2.421708 6.744206 8.040868 2.417280 1.390117 2.792388 1.413097 0.000000 10.369779 4.066470 4.991924 4.337500 4.660045 2.420493 6.757248 8.056507 2.417309 2.792567 1.390591 1.412453 2.426279 0.000000 4.461057 2.589424 3.244726 3.220928 1.354273 7.789220 1.363369 2.342407 3.934034 4.661563 4.746000 6.493337 5.907471 5.972970 0.000000 4.001049 3.896338 4.557816 4.545609 2.378346 8.426791 2.421780 2.753307 4.957365 5.543697 5.676774 7.224784 6.661038 6.769996 1.431611 0.000000 2.753999 5.004886 5.510417 5.485794 3.625853 9.794821 2.782602 2.405835 6.243417 6.846614 6.960464 8.585878 8.001853 8.097361 2.415477 1.368834 0.000000 1.778291 5.078890 5.390872 5.345635 4.037961 10.457667 2.299437 1.311014 6.594243 7.291585 7.354684 9.173585 8.558439 8.610804 2.684089 2.354684 1.407671 0.000000 12.813846 6.484287 7.152630 6.865991 7.036458 1.007020 9.237160 10.542970 4.716011 4.436772 3.963643 2.020602 3.271268 2.590922 8.378623 9.054313 10.414328 11.041645 0.000000 12.782205 6.485807 6.876857 7.179561 6.998112 1.006890 9.228132 10.531424 4.717042 3.962141 4.439811 2.021469 2.587867 3.275088 8.341367 8.989747 10.354607 11.007488 1.652432 0.000000 8.727874 2.900132 2.668229 4.229976 3.410743 4.566519 5.209790 6.445176 2.152912 1.084959 3.399286 3.417558 2.148205 3.877320 4.536581 5.403987 6.630723 7.022389 5.379469 4.674902 0.000000 8.818584 2.890831 4.155107 2.554319 3.580183 4.568823 5.233913 6.474262 2.148724 3.397002 1.084706 3.419262 3.876910 2.151864 4.681547 5.635715 6.829749 7.130465 4.681866 5.386370 4.290266 0.000000 10.960567 4.919663 5.000385 5.982992 5.362749 2.660250 7.479823 8.742601 3.400937 2.149457 3.878595 2.164323 1.086283 3.412024 6.631187 7.307277 8.625876 9.218582 3.601076 2.418150 2.473848 4.963028 0.000000 11.034140 4.918302 5.938549 4.942679 5.473030 2.658074 7.499480 8.766628 3.401111 3.878932 2.150202 2.163607 3.412129 1.086373 6.732289 7.479462 8.779263 9.302281 2.425795 3.607283 4.963642 2.479956 4.312024 0.000000 4.899143 4.215395 4.988451 4.993291 2.588747 7.938192 3.391383 3.836888 4.901025 5.359573 5.538226 6.832465 6.317865 6.467319 2.174741 1.084472 2.148532 3.365160 8.591634 8.503563 5.292522 5.601410 6.916327 7.153065 0.000000 2.907345 5.995414 6.521467 6.503652 4.529344 10.441032 3.865224 3.374736 7.111828 7.647909 7.784122 9.294390 8.727997 8.845085 3.421444 2.155911 1.083780 2.178238 11.075928 11.001150 7.431167 7.669914 9.305199 9.495445 2.525334 0.000000 1.2177594 0.1313482 0.1269170 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4027,.5864,-.4781;2.3675,1.183,-.7173;2.2952,2.5793,-.2079;2.3441,1.0519,-2.198;1.3712,.1558,.0591;7.596,-1.0685,1.1316;-.5659,1.226,-.8387;-1.9087,1.2795,-.9355;3.9393,.5288,-.1784;4.5391,1.0077,.9915;4.5811,-.4688,-.9206;6.4161,-.5099,.6779;5.7591,.4975,1.4152;5.801,-.9813,-.501;.0258,.2673,-.0757;-.7797,-.6909,.6254;-2.1405,-.6221,.5196;-2.6484,.408,-.2965;8.1636,-1.5383,.4388;8.1511,-.4977,1.7556;4.0474,1.786,1.5639;4.1256,-.8351,-1.8337;6.2174,.8743,2.3262;6.293,-1.7565,-1.0829;-.294,-1.4488,1.2301;-2.7988,-1.3148,1.0309; 0.000000 6.800605 0.000000 6.993321 1.488087 0.000000 6.978084 1.486696 2.509122 0.000000 5.814815 1.627967 2.607352 2.616077 0.000000 12.218706 5.985318 6.572525 6.569940 6.433986 0.000000 3.906363 2.936254 3.227299 3.216582 2.388292 8.704194 0.000000 2.628643 4.282805 4.459988 4.442024 3.606897 10.006181 1.347275 0.000000 8.347502 1.785689 2.628331 2.626179 2.605801 4.199872 4.606375 5.944306 0.000000 9.071545 2.768849 2.990586 3.872054 3.410351 3.697858 5.427589 6.735069 1.399215 0.000000 9.056346 2.769409 3.876055 2.991390 3.413662 3.695999 5.419504 6.721141 1.399274 2.416116 0.000000 10.935444 4.604731 5.225840 5.224110 5.126075 1.381980 7.352698 8.666413 2.819048 2.434002 2.433952 0.000000 10.337016 4.064525 4.355100 5.002494 4.605322 2.430369 6.754011 8.058033 2.419196 1.388586 2.788786 1.410711 0.000000 10.323375 4.064397 5.005360 4.354698 4.607496 2.427974 6.747102 8.045996 2.418756 2.788482 1.388067 1.410847 2.420840 0.000000 4.458190 2.594869 3.242336 3.239462 1.356727 7.781294 1.360662 2.346512 3.923481 4.696453 4.691074 6.481308 5.928393 5.923840 0.000000 3.996836 3.901165 4.565499 4.557108 2.379984 8.399477 2.421488 2.755598 4.939905 5.595483 5.583739 7.198303 6.692699 6.682722 1.434791 0.000000 2.751931 5.011046 5.518557 5.504515 3.626282 9.765924 2.782062 2.405696 6.227022 6.891806 6.875915 8.558838 8.028687 8.014862 2.416344 1.366638 0.000000 1.772670 5.092785 5.400145 5.380972 4.043188 10.448243 2.302081 1.309583 6.589787 7.326579 7.309135 9.162785 8.580413 8.565217 2.687001 2.355684 1.408945 0.000000 12.777587 6.506691 7.197994 6.894120 7.010752 1.011420 9.245464 10.548922 4.743350 4.463689 3.978231 2.041734 3.298441 2.603030 8.351558 8.985360 10.345126 11.010357 0.000000 12.796990 6.510802 6.900387 7.194043 7.019424 1.011607 9.256835 10.564108 4.747037 3.987082 4.461849 2.042539 2.613091 3.293874 8.364176 9.004182 10.366385 11.030010 1.678393 0.000000 8.775705 2.896481 2.615108 4.194295 3.476204 4.574616 5.231537 6.479086 2.151273 1.084110 3.397298 3.415685 2.147621 3.872563 4.600842 5.506114 6.721665 7.084765 5.409282 4.700306 0.000000 8.751600 2.900016 4.201388 2.620571 3.485875 4.570617 5.220079 6.456867 2.152902 3.398296 1.084172 3.414705 3.872919 2.145715 4.595047 5.489164 6.696902 7.056587 4.686586 5.403862 4.291875 0.000000 10.987884 4.917336 4.971182 5.958429 5.398294 2.664906 7.493613 8.765642 3.403339 2.148504 3.875973 2.161563 1.087188 3.407325 6.668825 7.369042 8.680946 9.257360 3.629152 2.438704 2.474140 4.960103 0.000000 10.966016 4.917756 5.962180 4.972417 5.402353 2.659908 7.483374 8.746844 3.403134 3.875589 2.148358 2.160973 3.406826 1.087107 6.662469 7.353804 8.659120 9.233228 2.421219 3.618621 4.959668 2.471914 4.306883 0.000000 4.892950 4.219180 4.999697 4.996433 2.592064 7.899715 3.392337 3.839320 4.880048 5.426780 5.417762 6.797895 6.360950 6.353221 2.179956 1.084425 2.144265 3.364700 8.494999 8.514730 5.424306 5.412612 6.999746 6.988101 0.000000 2.909311 5.998752 6.530497 6.517351 4.527254 10.398126 3.864768 3.374833 7.089578 7.696762 7.680257 9.256670 8.756073 8.741451 3.421404 2.151776 1.083725 2.180072 10.980623 11.004230 7.534562 7.508879 9.368119 9.344737 2.516253 0.000000 1.1993199 0.1316683 0.1270281 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4056,.5854,-.5116;2.3599,1.169,-.7103;2.2974,2.5748,-.2149;2.3306,1.0152,-2.1934;1.362,.1463,.0712;7.61,-1.0572,1.118;-.5651,1.2007,-.8593;-1.9013,1.2627,-.9601;3.9436,.5201,-.1737;4.5343,.9914,1.0015;4.5945,-.4541,-.9346;6.4196,-.5113,.6734;5.7579,.4834,1.4235;5.8186,-.9662,-.5188;.0188,.2515,-.0747;-.7933,-.6792,.6485;-2.1558,-.6027,.5374;-2.6532,.413,-.3018;8.1839,-1.5281,.4325;8.1449,-.5178,1.7842;4.0427,1.7696,1.5763;4.1458,-.7993,-1.8602;6.2146,.8565,2.3359;6.3236,-1.7193,-1.1175;-.3118,-1.4263,1.2698;-2.8213,-1.2796,1.0605; 0.000000 6.793495 0.000000 6.998233 1.491867 0.000000 6.956265 1.491395 2.519498 0.000000 5.813609 1.628573 2.618109 2.611832 0.000000 12.236386 5.988528 6.572105 6.567560 6.448382 0.000000 3.904975 2.928943 3.239933 3.193641 2.385678 8.708649 0.000000 2.632782 4.269500 4.461551 4.414866 3.599901 10.008279 1.341408 0.000000 8.356241 1.793571 2.633111 2.631726 2.619926 4.195184 4.610983 5.944067 0.000000 9.076144 2.773076 2.998461 3.881324 3.412217 3.697364 5.432363 6.733390 1.397249 0.000000 9.069844 2.771010 3.869038 2.978096 3.438196 3.697307 5.419037 6.718919 1.397132 2.417015 0.000000 10.944995 4.606489 5.225571 5.222035 5.135613 1.382976 7.353023 8.663342 2.812938 2.433181 2.433139 0.000000 10.346537 4.070522 4.362708 5.011086 4.611477 2.428466 6.760582 8.059237 2.417457 1.390384 2.791599 1.410696 0.000000 10.341300 4.069208 5.003016 4.347028 4.631082 2.428271 6.750058 8.047348 2.417466 2.791614 1.390498 1.410526 2.424371 0.000000 4.458405 2.593544 3.257206 3.227518 1.355258 7.795033 1.362887 2.343744 3.935219 4.700632 4.709042 6.489438 5.935955 5.942935 0.000000 3.999181 3.899268 4.570120 4.550396 2.379099 8.424946 2.420585 2.754277 4.955024 5.594571 5.620119 7.214951 6.698529 6.720333 1.431278 0.000000 2.751973 5.008653 5.522036 5.495693 3.626768 9.793648 2.780835 2.405597 6.242483 6.893066 6.910574 8.577017 8.036857 8.052303 2.415157 1.369156 0.000000 1.773289 5.086208 5.402712 5.364652 4.041357 10.464786 2.300335 1.311828 6.598895 7.327618 7.326832 9.171823 8.586498 8.586133 2.686483 2.356908 1.408232 0.000000 12.800514 6.519129 7.204441 6.901080 7.033603 1.010398 9.255249 10.556441 4.747958 4.471138 3.988206 2.050462 3.303610 2.610583 8.372171 9.019831 10.381553 11.034030 0.000000 12.806320 6.521775 6.910414 7.209527 7.027246 1.010373 9.263086 10.565344 4.749915 3.990785 4.472227 2.051875 2.613493 3.303971 8.371426 9.011498 10.376213 11.037050 1.687984 0.000000 8.782646 2.901901 2.627369 4.208473 3.476551 4.574575 5.242858 6.482363 2.152558 1.085169 3.399152 3.415789 2.149266 3.876579 4.606759 5.499459 6.717745 7.085386 5.415940 4.701398 0.000000 8.767185 2.895874 4.184301 2.588174 3.517669 4.575665 5.214860 6.452119 2.150835 3.398106 1.084973 3.416501 3.876418 2.150674 4.617909 5.541053 6.745226 7.079957 4.700358 5.417843 4.291784 0.000000 10.998645 4.922987 4.980365 5.968730 5.401932 2.663274 7.502816 8.769053 3.401338 2.149923 3.878009 2.162621 1.086446 3.410073 6.675732 7.369983 8.684907 9.262420 3.631464 2.432924 2.475454 4.962766 0.000000 10.990629 4.921248 5.955181 4.957721 5.432321 2.662845 7.486433 8.750160 3.401507 3.878106 2.150256 2.162385 3.410079 1.086542 6.687454 7.406121 8.711228 9.262555 2.428958 3.630504 4.962989 2.477996 4.309632 0.000000 4.896903 4.218284 5.002110 4.993718 2.590635 7.931878 3.390921 3.837963 4.896982 5.422392 5.465949 6.819458 6.364874 6.402581 2.175314 1.084513 2.148322 3.366782 8.537435 8.520871 5.410100 5.482758 6.995840 7.057835 0.000000 2.908556 5.997973 6.533290 6.511248 4.529038 10.433877 3.863658 3.375316 7.108147 7.698462 7.723771 9.280904 8.765976 8.788698 3.420371 2.154775 1.083884 2.179196 11.025892 11.016407 7.528468 7.569847 9.372152 9.410947 2.522501 0.000000 1.2087184 0.1313159 0.1268440 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4054,.5969,-.4889;2.3626,1.1764,-.7096;2.2939,2.5742,-.1962;2.3435,1.0435,-2.1939;1.3645,.1441,.0587;7.6037,-1.072,1.1357;-.5668,1.2211,-.8388;-1.9056,1.2851,-.9331;3.9427,.5224,-.1701;4.5445,1.0083,.9939;4.581,-.473,-.9155;6.4165,-.5124,.6799;5.7662,.4973,1.4172;5.8043,-.9847,-.4985;.0201,.2544,-.0799;-.7891,-.6956,.623;-2.1513,-.6178,.5183;-2.6532,.418,-.294;8.1707,-1.5252,.43;8.159,-.4841,1.7447;4.0593,1.7963,1.5602;4.1246,-.8346,-1.8308;6.2292,.8791,2.3232;6.2994,-1.7535,-1.0858;-.3056,-1.4572,1.2249;-2.8139,-1.3084,1.0269; 0.000000 6.796294 0.000000 6.991149 1.490776 0.000000 6.975239 1.490351 2.517261 0.000000 5.813469 1.628429 2.614226 2.615551 0.000000 12.232867 5.994156 6.577478 6.575029 6.447232 0.000000 3.904683 2.932591 3.229231 3.215240 2.386505 8.712925 0.000000 2.630584 4.275390 4.454297 4.438778 3.602642 10.013146 1.343600 0.000000 8.354501 1.793192 2.632366 2.631451 2.615816 4.201224 4.612082 5.946974 0.000000 9.081210 2.773271 2.988930 3.873974 3.425472 3.702250 5.434157 6.737495 1.397594 0.000000 9.059901 2.772038 3.877354 2.990018 3.416969 3.701758 5.419964 6.720654 1.397780 2.416910 0.000000 10.941173 4.606172 5.224040 5.221915 5.132193 1.389402 7.353793 8.665439 2.812989 2.432180 2.432246 0.000000 10.349132 4.070508 4.355840 5.005286 4.620113 2.432815 6.761733 8.062334 2.417717 1.390255 2.790645 1.409277 0.000000 10.331440 4.069401 5.008008 4.354818 4.614789 2.432345 6.750728 8.048789 2.417558 2.790428 1.389998 1.409448 2.422371 0.000000 4.457549 2.594906 3.250436 3.238776 1.355988 7.794089 1.361998 2.344957 3.932752 4.710772 4.693498 6.486797 5.942880 5.930175 0.000000 3.997989 3.900431 4.568182 4.557710 2.379480 8.416942 2.420768 2.755219 4.950052 5.611484 5.590635 7.208187 6.710207 6.694388 1.432302 0.000000 2.751479 5.010172 5.519032 5.506276 3.626688 9.785109 2.780988 2.405843 6.237872 6.906842 6.884835 8.569972 8.046062 8.028707 2.415311 1.368399 0.000000 1.772052 5.089756 5.397471 5.382179 4.042431 10.462710 2.301021 1.311223 6.597880 7.335791 7.315312 9.169132 8.591903 8.575443 2.686864 2.357030 1.408732 0.000000 12.786895 6.506242 7.192631 6.887572 7.017721 1.012299 9.246409 10.549270 4.735871 4.459339 3.975335 2.040918 3.293414 2.598883 8.358123 9.000216 10.362172 11.020714 0.000000 12.807056 6.509918 6.893442 7.187869 7.028677 1.012355 9.258629 10.563925 4.738831 3.981882 4.458552 2.042281 2.606880 3.290489 8.373493 9.020651 10.383851 11.039611 1.677015 0.000000 8.791384 2.900868 2.608921 4.195655 3.499469 4.579351 5.242841 6.485208 2.151831 1.084905 3.398652 3.414881 2.149725 3.875203 4.624108 5.531345 6.744307 7.098965 5.404907 4.694859 0.000000 8.752752 2.899268 4.200419 2.613652 3.485119 4.578259 5.217222 6.454636 2.152265 3.398745 1.084793 3.414664 3.875328 2.149108 4.593291 5.494138 6.704664 7.061833 4.686017 5.402126 4.292365 0.000000 11.003673 4.923050 4.970571 5.960610 5.416003 2.665821 7.503382 8.771682 3.401705 2.149795 3.877322 2.161451 1.086684 3.408287 6.687079 7.391022 8.702355 9.271361 3.624132 2.432549 2.476213 4.961976 0.000000 10.975993 4.921774 5.963580 4.969858 5.409586 2.664699 7.486911 8.750878 3.401744 3.877132 2.149751 2.161380 3.408124 1.086741 6.668759 7.367933 8.676243 9.246127 2.418993 3.616774 4.961852 2.475672 4.307732 0.000000 4.895344 4.218652 5.002971 4.995900 2.591085 7.919214 3.391235 3.838921 4.890096 5.445714 5.424845 6.810006 6.381588 6.365863 2.176723 1.084490 2.147213 3.366670 8.513737 8.536198 5.454437 5.417710 7.026261 7.003774 0.000000 2.908733 5.998797 6.531542 6.519507 4.528433 10.420881 3.863798 3.375411 7.101875 7.714566 7.691282 9.271145 8.776780 8.758144 3.420417 2.153683 1.083846 2.179729 11.002918 11.027199 7.560772 7.518927 9.393771 9.365565 2.520487 0.000000 1.2037792 0.1314004 0.1268523 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.405,.5999,-.4932;2.3624,1.1669,-.7142;2.294,2.5684,-.2105;2.3388,1.0248,-2.1977;1.3639,.1413,.0617;7.6079,-1.0635,1.1304;-.5643,1.2154,-.8457;-1.9029,1.2804,-.9418;3.942,.516,-.1733;4.535,.9938,.9985;4.59,-.4675,-.9257;6.4185,-.5122,.6782;5.7583,.487,1.4221;5.814,-.9769,-.5077;.0198,.2562,-.0755;-.7916,-.687,.6346;-2.1533,-.6085,.5275;-2.6522,.4209,-.2949;8.1828,-1.5089,.4276;8.1516,-.488,1.7596;4.0427,1.7732,1.5705;4.1396,-.8222,-1.8466;6.2152,.8643,2.3329;6.3153,-1.7379,-1.0996;-.3094,-1.4441,1.2432;-2.8181,-1.2932,1.0412; 0.000000 6.794712 0.000000 6.987954 1.490831 0.000000 6.968825 1.490412 2.516643 0.000000 5.813613 1.628230 2.613449 2.614584 0.000000 12.235710 5.991055 6.574681 6.572718 6.448369 0.000000 3.905664 2.930037 3.225505 3.208109 2.386401 8.711079 0.000000 2.631458 4.272934 4.450646 4.431125 3.602340 10.012210 1.343695 0.000000 8.353512 1.792007 2.632398 2.631922 2.615770 4.199244 4.609500 5.944577 0.000000 9.072179 2.771983 2.993888 3.878174 3.414762 3.700346 5.427088 6.730141 1.397613 0.000000 9.068393 2.770933 3.872940 2.985410 3.428321 3.700093 5.422616 6.724090 1.397587 2.416858 0.000000 10.943386 4.605497 5.224158 5.222787 5.133877 1.386719 7.353000 8.665166 2.813494 2.432759 2.432742 0.000000 10.342782 4.069168 4.358743 5.008481 4.613124 2.431158 6.756340 8.056799 2.417695 1.390158 2.790767 1.409917 0.000000 10.339923 4.068410 5.004759 4.352002 4.623640 2.430801 6.752969 8.052014 2.417627 2.790697 1.390131 1.409849 2.422849 0.000000 4.457764 2.593255 3.245928 3.236047 1.355910 7.795814 1.361750 2.344464 3.931946 4.699411 4.704560 6.488602 5.935126 5.939669 0.000000 3.998066 3.899243 4.564270 4.555385 2.379134 8.422545 2.421154 2.755134 4.950419 5.597356 5.607511 7.212384 6.700695 6.709899 1.432600 0.000000 2.751705 5.008567 5.515055 5.502115 3.626260 9.790414 2.781577 2.406102 6.237648 6.893713 6.899546 8.573726 8.037037 8.042724 2.415356 1.368187 0.000000 1.772990 5.087151 5.392967 5.375482 4.041604 10.464488 2.300911 1.310980 6.596019 7.325161 7.323722 9.170421 8.584241 8.583486 2.686120 2.356555 1.408838 0.000000 12.796384 6.506985 7.190934 6.889442 7.025294 1.011280 9.249568 10.553575 4.737724 4.460456 3.978006 2.041759 3.294097 2.601750 8.366776 9.014341 10.375756 11.029252 0.000000 12.803338 6.509440 6.894472 7.192826 7.025050 1.011299 9.254989 10.560208 4.739707 3.981730 4.460516 2.042875 2.606221 3.292973 8.369366 9.015833 10.378982 11.034900 1.678487 0.000000 8.774940 2.900188 2.619623 4.202689 3.480764 4.577232 5.231993 6.473474 2.152117 1.084854 3.398703 3.415209 2.149238 3.875423 4.603694 5.504448 6.719473 7.080320 5.405392 4.693723 0.000000 8.767216 2.897811 4.192774 2.603428 3.503513 4.577054 5.223033 6.461577 2.151651 3.398377 1.084718 3.415271 3.875369 2.149446 4.612195 5.521892 6.729238 7.076883 4.689448 5.404793 4.292066 0.000000 10.992954 4.921450 4.974789 5.964772 5.405210 2.665052 7.495867 8.763633 3.401499 2.149478 3.877354 2.162028 1.086603 3.408812 6.674767 7.374673 8.686816 9.259221 3.624071 2.430443 2.475239 4.961921 0.000000 10.988956 4.920545 5.958652 4.964974 5.421849 2.664280 7.490976 8.756386 3.401571 3.877337 2.149626 2.161840 3.408763 1.086667 6.682673 7.390513 8.697137 9.258753 2.423329 3.620655 4.962016 2.475883 4.308587 0.000000 4.895561 4.217493 4.999060 4.994783 2.590168 7.927249 3.391316 3.838780 4.891066 5.428759 5.446257 6.815616 6.370071 6.385901 2.176767 1.084455 2.147204 3.366398 8.531524 8.530448 5.422056 5.452231 7.006164 7.032876 0.000000 2.907935 5.997640 6.527831 6.515922 4.528384 10.428955 3.864344 3.375373 7.102628 7.700732 7.709118 9.276733 8.767514 8.775682 3.420788 2.153984 1.083834 2.179612 11.020148 11.022648 7.533556 7.547900 9.376810 9.391474 2.521375 0.000000 1.2077283 0.1313711 0.1268703 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4043,.5951,-.4986;2.3627,1.1702,-.7102;2.2949,2.5706,-.2035;2.3387,1.0317,-2.1938;1.3643,.1424,.0633;7.6075,-1.066,1.1286;-.5638,1.2129,-.8492;-1.9026,1.2766,-.9468;3.9416,.5176,-.1713;4.5374,.996,.9991;4.5871,-.4678,-.9234;6.4181,-.5133,.6776;5.7606,.488,1.4212;5.8108,-.9788,-.5064;.0202,.2563,-.0762;-.7912,-.6862,.6354;-2.1528,-.6092,.5267;-2.6517,.4181,-.2985;8.1819,-1.5085,.4237;8.1519,-.4891,1.7559;4.047,1.7765,1.571;4.1348,-.8234,-1.8429;6.2194,.8659,2.3308;6.3095,-1.742,-1.0979;-.3089,-1.4414,1.2462;-2.8178,-1.2933,1.0409; 0.000000 6.794703 0.000000 6.990643 1.490745 0.000000 6.966543 1.490283 2.516225 0.000000 5.813559 1.628290 2.614015 2.614304 0.000000 12.234887 5.990842 6.574456 6.572603 6.447767 0.000000 3.905701 2.930053 3.229886 3.203919 2.386561 8.710626 0.000000 2.631303 4.273185 4.454876 4.427636 3.602637 10.011891 1.343924 0.000000 8.352753 1.791489 2.632037 2.631407 2.615067 4.199548 4.608862 5.944144 0.000000 9.075137 2.771481 2.992375 3.876825 3.416561 3.700598 5.429983 6.733392 1.397655 0.000000 9.064003 2.770682 3.873554 2.986247 3.425283 3.700215 5.418630 6.720117 1.397631 2.416837 0.000000 10.942446 4.605070 5.223780 5.222407 5.133085 1.386932 7.352358 8.664679 2.813584 2.432797 2.432671 0.000000 10.345195 4.068647 4.357539 5.007289 4.614214 2.431355 6.758517 8.059402 2.417712 1.390162 2.790627 1.409870 0.000000 10.335702 4.068108 5.005176 4.352571 4.620993 2.430865 6.749534 8.048472 2.417726 2.790697 1.390136 1.409751 2.422704 0.000000 4.457528 2.593166 3.247529 3.234355 1.356099 7.795392 1.361443 2.344356 3.931311 4.701965 4.700948 6.487979 5.937021 5.936513 0.000000 3.997799 3.899227 4.564501 4.555414 2.379110 8.421809 2.421198 2.755164 4.949734 5.599665 5.603909 7.211508 6.702435 6.706435 1.432843 0.000000 2.751558 5.008547 5.515976 5.501534 3.626214 9.789545 2.781705 2.406176 6.236895 6.896248 6.895562 8.572743 8.039008 8.038843 2.415427 1.368069 0.000000 1.772843 5.087195 5.395469 5.373389 4.041686 10.463850 2.300987 1.310864 6.595360 7.328094 7.319587 9.169637 8.586587 8.579613 2.686027 2.356525 1.408977 0.000000 12.794090 6.505707 7.189511 6.888136 7.023911 1.011226 9.247284 10.551398 4.736948 4.459364 3.977452 2.041023 3.292925 2.601461 8.365275 9.013187 10.374236 11.027279 0.000000 12.803033 6.507684 6.892442 7.190704 7.023948 1.011245 9.254514 10.560091 4.738541 3.980343 4.459483 2.041910 2.604808 3.292205 8.368824 9.015211 10.378448 11.034595 1.677755 0.000000 8.780951 2.899729 2.617152 4.200829 3.484372 4.577421 5.237809 6.479788 2.152106 1.084803 3.398659 3.415194 2.149229 3.875379 4.608700 5.509052 6.724617 7.086178 5.404134 4.692249 0.000000 8.759886 2.897939 4.194301 2.605841 3.498865 4.576989 5.216333 6.454706 2.151751 3.398409 1.084687 3.415081 3.875203 2.149297 4.606188 5.515975 6.722655 7.069907 4.688911 5.403758 4.292125 0.000000 10.997438 4.920820 4.973012 5.963156 5.407181 2.665324 7.499629 8.768059 3.401443 2.149350 3.877215 2.162055 1.086604 3.408714 6.678023 7.377871 8.690515 9.263438 3.622923 2.429143 2.475058 4.961755 0.000000 10.982089 4.920171 5.959419 4.965975 5.417938 2.664428 7.485576 8.750577 3.401575 3.877340 2.149502 2.161872 3.408707 1.086666 6.677715 7.385003 8.690905 9.252470 2.423975 3.620544 4.961978 2.475479 4.308628 0.000000 4.895348 4.217230 4.997724 4.995912 2.589840 7.926205 3.391249 3.838786 4.890170 5.430316 5.442933 6.814448 6.371165 6.382505 2.176941 1.084436 2.147143 3.366415 8.530774 8.529460 5.425398 5.447037 7.008500 7.027606 0.000000 2.907515 5.997703 6.528225 6.516000 4.528437 10.428169 3.864462 3.375314 7.102008 7.703318 7.705330 9.275854 8.769611 8.771876 3.420996 2.154051 1.083833 2.179598 11.019058 11.022332 7.538632 7.541550 9.380687 9.385198 2.521618 0.000000 1.2074710 0.1313918 0.1268866 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4041,.5967,-.4984;2.3624,1.172,-.7064;2.2934,2.5705,-.1949;2.3389,1.0389,-2.1906;1.3642,.1407,.0625;7.6082,-1.066,1.1279;-.5635,1.2166,-.8442;-1.9024,1.2809,-.9418;3.9416,.5187,-.1689;4.5417,1.0018,.9971;4.5826,-.4719,-.918;6.4182,-.5131,.6778;5.7653,.4935,1.418;5.8064,-.9835,-.5019;.02,.2559,-.0762;-.7915,-.6907,.6298;-2.153,-.613,.5211;-2.6517,.4189,-.2984;8.1803,-1.5114,.423;8.1545,-.4874,1.7519;4.0547,1.7866,1.5661;4.1269,-.8313,-1.8344;6.2279,.8756,2.3239;6.3014,-1.7508,-1.091;-.3092,-1.4494,1.2363;-2.8182,-1.3001,1.0312; 0.000000 6.794106 0.000000 6.988900 1.490706 0.000000 6.966201 1.490336 2.516115 0.000000 5.813389 1.628238 2.614075 2.614052 0.000000 12.235404 5.990976 6.574239 6.573297 6.448205 0.000000 3.905622 2.929511 3.227516 3.204482 2.386528 8.710717 0.000000 2.631249 4.272638 4.452581 4.427952 3.602596 10.012110 1.343922 0.000000 8.352539 1.791501 2.631903 2.631779 2.615218 4.199668 4.608571 5.943882 0.000000 9.078977 2.771334 2.989368 3.874931 3.422221 3.700861 5.431376 6.735204 1.397560 0.000000 9.059724 2.770633 3.875482 2.989317 3.419768 3.700412 5.416535 6.717687 1.397611 2.416847 0.000000 10.942480 4.604933 5.223442 5.222742 5.133184 1.387193 7.352088 8.664503 2.813436 2.432784 2.432645 0.000000 10.348924 4.068592 4.355402 5.005967 4.618649 2.431512 6.759790 8.061133 2.417650 1.390262 2.790645 1.409782 0.000000 10.332060 4.068064 5.006621 4.354873 4.616912 2.431010 6.747846 8.046480 2.417673 2.790736 1.390159 1.409739 2.422689 0.000000 4.457307 2.592858 3.246466 3.234317 1.356150 7.795987 1.361330 2.344236 3.931396 4.706764 4.696256 6.488179 5.941143 5.932877 0.000000 3.997677 3.898954 4.564199 4.554702 2.379039 8.422784 2.421211 2.755193 4.949950 5.607316 5.596742 7.212015 6.709304 6.700594 1.432856 0.000000 2.751467 5.008160 5.515238 5.500856 3.626115 9.790488 2.781709 2.406222 6.237000 6.903089 6.888994 8.573185 8.045355 8.033368 2.415349 1.368036 0.000000 1.772682 5.086762 5.393937 5.373224 4.041674 10.464502 2.301030 1.310908 6.595328 7.332364 7.315236 9.169830 8.590600 8.576019 2.685966 2.356577 1.409038 0.000000 12.792957 6.505682 7.190180 6.888844 7.022737 1.011213 9.246716 10.550784 4.736911 4.459275 3.977715 2.041141 3.292650 2.601832 8.364313 9.011552 10.372664 11.026285 0.000000 12.804625 6.507354 6.891528 7.189851 7.025504 1.011229 9.254611 10.560483 4.738227 3.979954 4.459524 2.041853 2.604210 3.292377 8.370441 9.018383 10.381472 11.036334 1.677859 0.000000 8.788076 2.899372 2.611138 4.197186 3.494144 4.577792 5.240541 6.483259 2.151934 1.084797 3.398584 3.415252 2.149450 3.875407 4.617274 5.522642 6.736916 7.093954 5.404020 4.691869 0.000000 8.752305 2.898089 4.197810 2.611733 3.489393 4.577095 5.212917 6.450604 2.151881 3.398482 1.084701 3.415018 3.875233 2.149241 4.597769 5.502944 6.710668 7.062045 4.689155 5.403835 4.292099 0.000000 11.003794 4.920695 4.969678 5.960872 5.413897 2.665516 7.501827 8.771028 3.401332 2.149372 3.877210 2.162031 1.086584 3.408709 6.684502 7.388859 8.700890 9.270054 3.622497 2.428269 2.475274 4.961759 0.000000 10.975942 4.920045 5.961624 4.969211 5.411589 2.664611 7.482933 8.747348 3.401463 3.877354 2.149426 2.161946 3.408708 1.086640 6.671776 7.375237 8.681613 9.246377 2.424761 3.621068 4.961980 2.475245 4.308671 0.000000 4.895282 4.216982 4.998097 4.994737 2.589659 7.927413 3.391207 3.838804 4.890469 5.440263 5.433735 6.815155 6.380213 6.374842 2.176933 1.084429 2.147171 3.366496 8.528544 8.533807 5.442811 5.430496 7.022979 7.014811 0.000000 2.907361 5.997390 6.527848 6.515102 4.528382 10.429436 3.864469 3.375333 7.102257 7.711492 7.697791 9.276565 8.777368 8.765471 3.420967 2.154069 1.083840 2.179592 11.017251 11.026317 7.553175 7.527676 9.393411 9.374125 2.521751 0.000000 1.2080550 0.1313891 0.1268891 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4041,.5971,-.4984;2.3621,1.1756,-.7012;2.2918,2.5712,-.1822;2.3398,1.0503,-2.1862;1.3641,.1393,.0611;7.6085,-1.0665,1.1268;-.5636,1.2196,-.8402;-1.9025,1.2842,-.9377;3.9414,.5208,-.1658;4.5475,1.0096,.9947;4.5766,-.4765,-.911;6.4184,-.5128,.6778;5.7714,.5004,1.414;5.8005,-.9891,-.4965;.02,.2549,-.0775;-.7914,-.6957,.6232;-2.1529,-.6178,.5147;-2.6518,.4186,-.2992;8.1771,-1.5174,.4226;8.1583,-.4862,1.7461;4.0648,1.7994,1.5604;4.1166,-.8405,-1.8235;6.2387,.8871,2.3156;6.2909,-1.7617,-1.0825;-.309,-1.4575,1.2257;-2.8181,-1.3077,1.0209; 0.000000 6.793893 0.000000 6.987952 1.490691 0.000000 6.966605 1.490393 2.516232 0.000000 5.813299 1.628208 2.614215 2.613833 0.000000 12.235638 5.991087 6.573738 6.573874 6.448426 0.000000 3.905546 2.929376 3.226957 3.204700 2.386548 8.710866 0.000000 2.631166 4.272520 4.451859 4.428334 3.602627 10.012321 1.343940 0.000000 8.352462 1.791566 2.631714 2.632064 2.615252 4.199711 4.608551 5.943887 0.000000 9.084580 2.771208 2.985315 3.872162 3.429706 3.700999 5.434566 6.738807 1.397459 0.000000 9.054028 2.770815 3.878189 2.993418 3.412385 3.700417 5.413304 6.714106 1.397676 2.416843 0.000000 10.942592 4.604954 5.223002 5.223075 5.133329 1.387285 7.352136 8.664606 2.813391 2.432770 2.432636 0.000000 10.354077 4.068587 4.352476 5.003980 4.624404 2.431593 6.762509 8.064326 2.417628 1.390347 2.790653 1.409697 0.000000 10.327078 4.068163 5.008538 4.357804 4.611443 2.431035 6.745233 8.043487 2.417669 2.790743 1.390109 1.409794 2.422689 0.000000 4.457167 2.592757 3.246130 3.234345 1.356201 7.796304 1.361254 2.344182 3.931449 4.713527 4.689656 6.488398 5.946745 5.927680 0.000000 3.997589 3.898842 4.563780 4.554789 2.379000 8.423187 2.421200 2.755201 4.949982 5.616937 5.587294 7.212314 6.717656 6.692754 1.432869 0.000000 2.751400 5.008031 5.514619 5.501096 3.626078 9.790884 2.781704 2.406233 6.237018 6.911867 6.880355 8.573466 8.053192 8.026006 2.415321 1.368023 0.000000 1.772544 5.086677 5.393229 5.373633 4.041719 10.464861 2.301069 1.310921 6.595386 7.338490 7.309286 9.170074 8.596083 8.570973 2.685964 2.356623 1.409082 0.000000 12.790858 6.506111 7.191661 6.890076 7.020875 1.011220 9.245906 10.549773 4.737252 4.459525 3.978148 2.041467 3.292732 2.602363 8.362455 9.008366 10.369563 11.024305 0.000000 12.807235 6.507478 6.890787 7.188836 7.027949 1.011233 9.255897 10.562058 4.738317 3.979987 4.459736 2.041941 2.604066 3.292663 8.373033 9.022355 10.385340 11.039086 1.677942 0.000000 8.798025 2.898801 2.603063 4.192065 3.506755 4.578119 5.246062 6.489527 2.151628 1.084780 3.398444 3.415344 2.149716 3.875396 4.629061 5.539539 6.752455 7.104746 5.404353 4.692079 0.000000 8.742130 2.898665 4.202803 2.619872 3.476774 4.576928 5.207260 6.444249 2.152162 3.398607 1.084725 3.414924 3.875264 2.149030 4.585989 5.486032 6.695091 7.051281 4.689414 5.403971 4.292080 0.000000 11.012345 4.920613 4.965250 5.957688 5.422531 2.665685 7.506114 8.776150 3.401278 2.149416 3.877218 2.162000 1.086585 3.408743 6.693220 7.402196 8.713632 9.278936 3.622468 2.427967 2.475616 4.961789 0.000000 10.967507 4.920135 5.964647 4.973548 5.403163 2.664631 7.478671 8.742347 3.401438 3.877349 2.149333 2.162036 3.408711 1.086628 6.663391 7.362362 8.669300 9.237871 2.425464 3.621492 4.961958 2.474855 4.308727 0.000000 4.895253 4.216786 4.997729 4.994625 2.589494 7.927802 3.391151 3.838807 4.890404 5.452105 5.421923 6.815439 6.390660 6.364835 2.176907 1.084428 2.147215 3.366572 8.524290 8.538746 5.463463 5.409680 7.039752 6.998455 0.000000 2.907244 5.997296 6.527243 6.515372 4.528376 10.429963 3.864465 3.375317 7.102328 7.721556 7.688008 9.276966 8.786564 8.756954 3.420976 2.154102 1.083844 2.179575 11.013531 11.031004 7.570935 7.509999 9.408492 9.359696 2.521895 0.000000 1.2082900 0.1313870 0.1268863 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4042,.5981,-.4987;2.3619,1.1765,-.699;2.2906,2.5708,-.1764;2.3408,1.055,-2.1843;1.3638,.1379,.06;7.6092,-1.0661,1.1261;-.5636,1.2202,-.8394;-1.9025,1.2853,-.9368;3.9413,.5211,-.1642;4.5496,1.0121,.9941;4.5745,-.4785,-.9082;6.4188,-.5126,.6778;5.7738,.5029,1.4127;5.7986,-.9911,-.4944;.0197,.2541,-.0782;-.7919,-.6976,.6208;-2.1534,-.6191,.5125;-2.652,.4188,-.2998;8.1762,-1.5194,.4221;8.1608,-.4846,1.7427;4.0683,1.8036,1.5586;4.113,-.8442,-1.8192;6.2429,.8912,2.3126;6.2874,-1.7655,-1.0793;-.3096,-1.4605,1.222;-2.8188,-1.3097,1.0175; 0.000000 6.793775 0.000000 6.986858 1.490719 0.000000 6.967440 1.490412 2.516326 0.000000 5.813250 1.628227 2.614190 2.613912 0.000000 12.236448 5.991164 6.573502 6.573718 6.449090 0.000000 3.905522 2.929269 3.226541 3.204951 2.386519 8.711231 0.000000 2.631159 4.272387 4.451122 4.428827 3.602570 10.012765 1.343915 0.000000 8.352582 1.791652 2.631757 2.632017 2.615479 4.199694 4.608616 5.943940 0.000000 9.086874 2.771233 2.983763 3.870804 3.433129 3.700976 5.436074 6.740355 1.397417 0.000000 9.052317 2.770977 3.879406 2.994926 3.409696 3.700356 5.412119 6.712893 1.397724 2.416823 0.000000 10.943237 4.605067 5.222893 5.222929 5.133947 1.387240 7.352459 8.664978 2.813417 2.432753 2.432647 0.000000 10.356391 4.068680 4.351360 5.002903 4.627238 2.431557 6.763894 8.065816 2.417655 1.390381 2.790665 1.409659 0.000000 10.325792 4.068272 5.009380 4.358730 4.609659 2.431010 6.744370 8.042585 2.417677 2.790713 1.390063 1.409846 2.422697 0.000000 4.457138 2.592727 3.245591 3.234865 1.356181 7.797012 1.361274 2.344160 3.931636 4.716451 4.687415 6.489022 5.949354 5.926110 0.000000 3.997572 3.898827 4.562879 4.555649 2.378992 8.424328 2.421210 2.755184 4.950250 5.620912 5.584310 7.213275 6.721401 6.690595 1.432851 0.000000 2.751386 5.007994 5.513556 5.502067 3.626069 9.792026 2.781719 2.406233 6.237262 6.915455 6.877704 8.574404 8.056680 8.024053 2.415313 1.368026 0.000000 1.772542 5.086574 5.392231 5.374418 4.041674 10.465650 2.301052 1.310912 6.595521 7.340987 7.307401 9.170719 8.598517 8.569580 2.685938 2.356609 1.409082 0.000000 12.790521 6.506164 7.192198 6.890015 7.020399 1.011233 9.245603 10.549469 4.737240 4.459531 3.978051 2.041466 3.292756 2.602303 8.362029 9.007854 10.369107 11.023931 0.000000 12.809200 6.507552 6.890411 7.187779 7.029807 1.011248 9.256883 10.563201 4.738336 3.980090 4.459637 2.041904 2.604183 3.292567 8.374910 9.025258 10.388176 11.041055 1.677777 0.000000 8.801665 2.898584 2.599846 4.189767 3.512075 4.578190 5.248434 6.491962 2.151470 1.084776 3.398360 3.415378 2.149832 3.875364 4.633731 5.545902 6.758212 7.108739 5.404458 4.692353 0.000000 8.738814 2.899015 4.204995 2.623157 3.471871 4.576787 5.205059 6.441976 2.152321 3.398667 1.084747 3.414894 3.875297 2.148904 4.581718 5.480254 6.689900 7.047631 4.689173 5.403761 4.292077 0.000000 11.015879 4.920678 4.963531 5.956131 5.426519 2.665692 7.508158 8.778387 3.401296 2.149456 3.877236 2.161978 1.086590 3.408769 6.697019 7.407752 8.718881 9.282610 3.622564 2.428241 2.475795 4.961828 0.000000 10.965097 4.920263 5.965950 4.975087 5.400209 2.664581 7.477174 8.740743 3.401456 3.877317 2.149299 2.162067 3.408702 1.086626 6.660656 7.358463 8.665685 9.235315 2.425332 3.621299 4.961923 2.474673 4.308735 0.000000 4.895276 4.216753 4.996787 4.995481 2.589444 7.929183 3.391140 3.838791 4.890676 5.456933 5.418190 6.816582 6.395282 6.362072 2.176855 1.084432 2.147255 3.366584 8.523617 8.542352 5.471164 5.402582 7.046650 6.993506 0.000000 2.907200 5.997288 6.526085 6.516470 4.528394 10.431367 3.864477 3.375304 7.102634 7.725625 7.685068 9.278102 8.790614 8.754761 3.420980 2.154131 1.083843 2.179561 11.013068 11.034421 7.577440 7.504198 9.414633 9.355547 2.521994 0.000000 1.2087831 0.1313721 0.1268761 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5985,-.4983;2.362,1.1752,-.7008;2.2906,2.5701,-.1798;2.3411,1.0517,-2.1859;1.3637,.1377,.0597;7.6093,-1.0654,1.1263;-.5637,1.2187,-.8415;-1.9024,1.284,-.9385;3.9413,.5202,-.1651;4.5477,1.0094,.9951;4.5766,-.4771,-.9104;6.4189,-.5125,.6779;5.7718,.5006,1.4142;5.8007,-.9891,-.4962;.0197,.254,-.0783;-.7921,-.6959,.6229;-2.1536,-.6172,.5148;-2.6521,.4191,-.2994;8.177,-1.5179,.4224;8.1603,-.4844,1.7439;4.0647,1.799,1.5608;4.1166,-.8413,-1.8227;6.2392,.8873,2.3157;6.2913,-1.7616,-1.0822;-.3099,-1.4576,1.2256;-2.8191,-1.3065,1.0215; 0.000000 6.793910 0.000000 6.986515 1.490756 0.000000 6.968109 1.490422 2.516448 0.000000 5.813321 1.628247 2.614036 2.614078 0.000000 12.236730 5.991100 6.573606 6.573266 6.449260 0.000000 3.905572 2.929351 3.226601 3.205135 2.386512 8.711333 0.000000 2.631237 4.272426 4.450971 4.429153 3.602525 10.012850 1.343872 0.000000 8.352691 1.791671 2.631923 2.631890 2.615487 4.199606 4.608679 5.943958 0.000000 9.085033 2.771358 2.985061 3.871607 3.431056 3.700805 5.435271 6.739260 1.397454 0.000000 9.054523 2.770972 3.878763 2.993606 3.411958 3.700257 5.413173 6.714155 1.397730 2.416812 0.000000 10.943553 4.605155 5.223131 5.222705 5.134183 1.387078 7.352663 8.665149 2.813486 2.432754 2.432670 0.000000 10.354793 4.068770 4.352314 5.003431 4.625737 2.431422 6.763259 8.064901 2.417699 1.390348 2.790677 1.409699 0.000000 10.327864 4.068280 5.008914 4.357667 4.611480 2.430945 6.745295 8.043719 2.417697 2.790691 1.390053 1.409866 2.422721 0.000000 4.457260 2.592788 3.245313 3.235317 1.356128 7.797135 1.361366 2.344203 3.931628 4.714400 4.689596 6.489206 5.947734 5.927957 0.000000 3.997653 3.898889 4.562274 4.556374 2.379008 8.424616 2.421217 2.755165 4.950257 5.617775 5.587638 7.213557 6.718806 6.693569 1.432818 0.000000 2.751439 5.008079 5.512964 5.502841 3.626101 9.792338 2.781724 2.406218 6.237301 6.912556 6.880850 8.574708 8.054217 8.026938 2.415337 1.368053 0.000000 1.772658 5.086602 5.391782 5.374989 4.041629 10.465810 2.301007 1.310898 6.595514 7.338955 7.309569 9.170919 8.596787 8.571556 2.685942 2.356576 1.409046 0.000000 12.791386 6.506100 7.192027 6.889485 7.020982 1.011228 9.245894 10.549835 4.737191 4.459570 3.977820 2.041382 3.292919 2.602000 8.362628 9.008981 10.370258 11.024659 0.000000 12.809035 6.507769 6.890878 7.187949 7.029728 1.011244 9.257007 10.563197 4.738528 3.980365 4.459637 2.041991 2.604575 3.292493 8.374715 9.024789 10.387734 11.040787 1.677789 0.000000 8.798130 2.898832 2.602321 4.191348 3.508380 4.577969 5.246886 6.489904 2.151553 1.084788 3.398399 3.415352 2.149740 3.875356 4.629965 5.540121 6.752791 7.104949 5.404538 4.692637 0.000000 8.742649 2.898897 4.203711 2.620655 3.475658 4.576737 5.206830 6.444176 2.152272 3.398638 1.084746 3.414934 3.875308 2.148924 4.585557 5.486124 6.695467 7.051497 4.688908 5.403713 4.292103 0.000000 11.013040 4.920806 4.964941 5.957055 5.424147 2.665541 7.507057 8.776825 3.401356 2.149459 3.877253 2.161990 1.086593 3.408786 6.694383 7.403424 8.714677 9.279673 3.622858 2.428816 2.475704 4.961844 0.000000 10.968507 4.920294 5.965173 4.973596 5.402970 2.664524 7.478640 8.742607 3.401503 3.877305 2.149335 2.162045 3.408714 1.086636 6.663598 7.363264 8.670411 9.238593 2.424759 3.621011 4.961924 2.474771 4.308727 0.000000 4.895342 4.216843 4.996085 4.996325 2.589511 7.929582 3.391170 3.838779 4.890703 5.453007 5.422356 6.816930 6.391976 6.365866 2.176822 1.084437 2.147266 3.366548 8.525112 8.541684 5.464020 5.409831 7.041127 6.999615 0.000000 2.907269 5.997357 6.525365 6.517336 4.528414 10.431716 3.864479 3.375304 7.102646 7.722224 7.688668 9.278407 8.787651 8.758133 3.420979 2.154136 1.083839 2.179562 11.014454 11.033779 7.571131 7.510591 9.409550 9.361147 2.521970 0.000000 1.2088663 0.1313651 0.1268727 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5989,-.4981;2.3619,1.1765,-.6987;2.2898,2.5703,-.1747;2.3416,1.0564,-2.1842;1.3637,.1369,.0589;7.6095,-1.0656,1.126;-.5637,1.2199,-.8399;-1.9025,1.2854,-.9367;3.9413,.5211,-.1639;4.55,1.0125,.9941;4.5743,-.4789,-.9076;6.419,-.5124,.6779;5.7742,.5034,1.4126;5.7984,-.9913,-.4939;.0196,.2535,-.0789;-.7921,-.698,.6202;-2.1536,-.6191,.5122;-2.6521,.419,-.2997;8.1756,-1.5206,.4224;8.1621,-.4836,1.7412;4.0687,1.8041,1.5584;4.1126,-.845,-1.8183;6.2434,.8919,2.3124;6.2872,-1.7659,-1.0787;-.3099,-1.4611,1.2212;-2.8191,-1.3096,1.0173; 0.000000 6.793882 0.000000 6.985974 1.490746 0.000000 6.968557 1.490432 2.516449 0.000000 5.813310 1.628246 2.614088 2.614015 0.000000 12.236880 5.991118 6.573398 6.573443 6.449374 0.000000 3.905566 2.929331 3.226234 3.205428 2.386519 8.711414 0.000000 2.631228 4.272408 4.450504 4.429548 3.602527 10.012950 1.343874 0.000000 8.352719 1.791677 2.631845 2.631949 2.615538 4.199618 4.608699 5.943982 0.000000 9.087275 2.771302 2.983454 3.870397 3.434167 3.700823 5.436545 6.740669 1.397418 0.000000 9.052409 2.771048 3.879856 2.995279 3.408990 3.700247 5.411979 6.712843 1.397765 2.416804 0.000000 10.943675 4.605173 5.222993 5.222814 5.134291 1.387079 7.352733 8.665233 2.813497 2.432753 2.432676 0.000000 10.356847 4.068758 4.351161 5.002547 4.628124 2.431421 6.764341 8.066143 2.417699 1.390373 2.790676 1.409673 0.000000 10.326009 4.068314 5.009695 4.358848 4.609278 2.430957 6.744325 8.042613 2.417703 2.790682 1.390025 1.409897 2.422719 0.000000 4.457245 2.592774 3.245075 3.235501 1.356132 7.797271 1.361365 2.344197 3.931675 4.717136 4.687010 6.489328 5.949987 5.925909 0.000000 3.997640 3.898877 4.561997 4.556601 2.379005 8.424819 2.421224 2.755162 4.950322 5.621687 5.583937 7.213736 6.722189 6.690487 1.432820 0.000000 2.751432 5.008064 5.512568 5.503175 3.626097 9.792540 2.781734 2.406221 6.237357 6.916098 6.877506 8.574881 8.057367 8.024078 2.415336 1.368049 0.000000 1.772649 5.086584 5.391310 5.375388 4.041627 10.465962 2.301012 1.310899 6.595553 7.341378 7.307294 9.171048 8.598943 8.569614 2.685937 2.356571 1.409048 0.000000 12.790435 6.506155 7.192602 6.889849 7.020058 1.011229 9.245461 10.549316 4.737231 4.459609 3.977827 2.041413 3.292934 2.602036 8.361708 9.007511 10.368838 11.023703 0.000000 12.810265 6.507794 6.890574 7.187360 7.030887 1.011244 9.257603 10.563911 4.738558 3.980412 4.459641 2.041996 2.604595 3.292515 8.375903 9.026645 10.389534 11.042033 1.677782 0.000000 8.802031 2.898592 2.599095 4.189161 3.513565 4.578057 5.249042 6.492308 2.151424 1.084780 3.398334 3.415391 2.149835 3.875338 4.634687 5.546914 6.758988 7.109173 5.404636 4.692785 0.000000 8.738816 2.899150 4.205735 2.624043 3.470533 4.576653 5.204717 6.441827 2.152395 3.398686 1.084753 3.414896 3.875314 2.148821 4.580907 5.479428 6.689372 7.047355 4.688811 5.403651 4.292095 0.000000 11.016395 4.920765 4.963195 5.955677 5.427700 2.665563 7.508738 8.778795 3.401345 2.149475 3.877252 2.161976 1.086594 3.408795 6.697867 7.408779 8.719751 9.283142 3.622890 2.428859 2.475837 4.961851 0.000000 10.965343 4.920339 5.966404 4.975384 5.399577 2.664534 7.477054 8.740760 3.401510 3.877295 2.149304 2.162074 3.408709 1.086636 6.660299 7.358194 8.665617 9.235326 2.424790 3.621025 4.961906 2.474609 4.308738 0.000000 4.895333 4.216827 4.995891 4.996465 2.589497 7.929823 3.391173 3.838776 4.890772 5.457882 5.417714 6.817140 6.396264 6.361927 2.176821 1.084438 2.147265 3.366546 8.523208 8.544039 5.472407 5.401536 7.047934 6.993140 0.000000 2.907261 5.997344 6.524967 6.517676 4.528411 10.431957 3.864489 3.375305 7.102713 7.726272 7.684851 9.278611 8.791331 8.754794 3.420982 2.154136 1.083839 2.179563 11.012745 11.035938 7.578210 7.503635 9.415543 9.355489 2.521975 0.000000 1.2089734 0.1313631 0.1268698 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5988,-.4981;2.3619,1.1761,-.6994;2.29,2.5702,-.1763;2.3415,1.055,-2.1847;1.3637,.1371,.0591;7.6094,-1.0655,1.1261;-.5637,1.2195,-.8403;-1.9025,1.285,-.9372;3.9413,.5208,-.1643;4.5493,1.0115,.9943;4.575,-.4784,-.9084;6.419,-.5124,.6779;5.7735,.5025,1.4131;5.7991,-.9907,-.4946;.0196,.2536,-.0787;-.7921,-.6974,.621;-2.1536,-.6186,.513;-2.6521,.4191,-.2996;8.176,-1.5198,.4225;8.1615,-.4838,1.7421;4.0675,1.8026,1.5591;4.1138,-.8439,-1.8197;6.2421,.8905,2.3134;6.2884,-1.7646,-1.0798;-.3099,-1.4601,1.2225;-2.8191,-1.3087,1.0186; 0.000000 6.793895 0.000000 6.986099 1.490747 0.000000 6.968458 1.490429 2.516438 0.000000 5.813317 1.628250 2.614082 2.614031 0.000000 12.236826 5.991111 6.573460 6.573410 6.449328 0.000000 3.905570 2.929339 3.226316 3.205362 2.386518 8.711383 0.000000 2.631236 4.272411 4.450607 4.429452 3.602522 10.012907 1.343869 0.000000 8.352713 1.791663 2.631852 2.631927 2.615526 4.199625 4.608688 5.943966 0.000000 9.086575 2.771311 2.983922 3.870760 3.433240 3.700822 5.436142 6.740217 1.397430 0.000000 9.053078 2.771016 3.879517 2.994782 3.409875 3.700259 5.412352 6.713252 1.397754 2.416803 0.000000 10.943633 4.605161 5.223029 5.222791 5.134249 1.387084 7.352705 8.665196 2.813500 2.432757 2.432672 0.000000 10.356194 4.068750 4.351495 5.002815 4.627398 2.431425 6.763990 8.065735 2.417699 1.390363 2.790671 1.409685 0.000000 10.326593 4.068298 5.009454 4.358504 4.609929 2.430961 6.744626 8.042956 2.417707 2.790685 1.390036 1.409883 2.422717 0.000000 4.457257 2.592780 3.245132 3.235462 1.356128 7.797215 1.361370 2.344199 3.931660 4.716302 4.687795 6.489278 5.949286 5.926525 0.000000 3.997649 3.898884 4.562070 4.556548 2.379006 8.424740 2.421222 2.755160 4.950309 5.620507 5.585062 7.213670 6.721151 6.691416 1.432818 0.000000 2.751439 5.008072 5.512667 5.503098 3.626099 9.792463 2.781731 2.406218 6.237346 6.915022 6.878532 8.574819 8.056394 8.024949 2.415337 1.368052 0.000000 1.772660 5.086588 5.391421 5.375290 4.041624 10.465900 2.301008 1.310899 6.595538 7.340626 7.307994 9.170995 8.598261 8.570207 2.685938 2.356569 1.409043 0.000000 12.790708 6.506131 7.192432 6.889755 7.020304 1.011229 9.245580 10.549456 4.737222 4.459600 3.977819 2.041398 3.292935 2.602014 8.361956 9.007914 10.369232 11.023964 0.000000 12.809879 6.507777 6.890654 7.187539 7.030533 1.011242 9.257410 10.563675 4.738550 3.980397 4.459634 2.041992 2.604593 3.292501 8.375532 9.026077 10.388981 11.041639 1.677791 0.000000 8.800821 2.898665 2.600051 4.189819 3.512035 4.578029 5.248371 6.491549 2.151467 1.084782 3.398352 3.415381 2.149801 3.875343 4.633263 5.544878 6.757116 7.107876 5.404608 4.692735 0.000000 8.740035 2.899069 4.205118 2.623030 3.472071 4.576686 5.205387 6.442574 2.152356 3.398669 1.084751 3.414903 3.875306 2.148852 4.582331 5.481472 6.691250 7.048643 4.688830 5.403660 4.292098 0.000000 11.015328 4.920765 4.963707 5.956093 5.426622 2.665554 7.508196 8.778153 3.401348 2.149466 3.877246 2.161983 1.086593 3.408789 6.696787 7.407137 8.718183 9.282049 3.622890 2.428854 2.475787 4.961842 0.000000 10.966334 4.920315 5.966025 4.974853 5.400581 2.664548 7.477544 8.741333 3.401510 3.877299 2.149313 2.162065 3.408712 1.086636 6.661293 7.359724 8.667076 9.236326 2.424770 3.621019 4.961912 2.474650 4.308737 0.000000 4.895337 4.216845 4.995959 4.996439 2.589510 7.929737 3.391177 3.838775 4.890774 5.456436 5.419125 6.817074 6.394972 6.363117 2.176824 1.084438 2.147262 3.366540 8.523737 8.543335 5.469923 5.404059 7.045876 6.995091 0.000000 2.907274 5.997349 6.525066 6.517595 4.528410 10.431860 3.864486 3.375306 7.102697 7.725043 7.686016 9.278534 8.790194 8.755806 3.420979 2.154134 1.083839 2.179563 11.013215 11.035273 7.576073 7.505770 9.413694 9.357205 2.521962 0.000000 1.2089344 0.1313639 0.1268708 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5989,-.4981;2.3619,1.1761,-.6994;2.29,2.5702,-.1762;2.3415,1.0551,-2.1847;1.3637,.1371,.0591;7.6094,-1.0655,1.1262;-.5637,1.2196,-.8403;-1.9025,1.2851,-.9372;3.9413,.5208,-.1642;4.5493,1.0116,.9943;4.5749,-.4784,-.9084;6.4189,-.5124,.6779;5.7735,.5026,1.4131;5.7991,-.9907,-.4946;.0196,.2536,-.0788;-.7921,-.6974,.621;-2.1536,-.6186,.513;-2.6521,.4191,-.2995;8.1759,-1.5199,.4225;8.1615,-.4838,1.742;4.0676,1.8026,1.5591;4.1137,-.844,-1.8196;6.2422,.8906,2.3133;6.2883,-1.7646,-1.0797;-.3099,-1.4602,1.2224;-2.8191,-1.3087,1.0185; 0.000000 6.793892 0.000000 6.986074 1.490746 0.000000 6.968468 1.490429 2.516441 0.000000 5.813320 1.628249 2.614085 2.614023 0.000000 12.236810 5.991108 6.573453 6.573421 6.449310 0.000000 3.905571 2.929334 3.226297 3.205366 2.386518 8.711369 0.000000 2.631238 4.272403 4.450580 4.429457 3.602521 10.012890 1.343866 0.000000 8.352705 1.791659 2.631846 2.631928 2.615516 4.199627 4.608677 5.943953 0.000000 9.086596 2.771307 2.983888 3.870741 3.433286 3.700821 5.436149 6.740221 1.397432 0.000000 9.053036 2.771014 3.879535 2.994817 3.409802 3.700260 5.412322 6.713221 1.397753 2.416803 0.000000 10.943619 4.605157 5.223024 5.222798 5.134231 1.387085 7.352691 8.665179 2.813500 2.432757 2.432671 0.000000 10.356209 4.068745 4.351469 5.002802 4.627426 2.431424 6.763991 8.065734 2.417699 1.390362 2.790669 1.409686 0.000000 10.326553 4.068296 5.009467 4.358532 4.609871 2.430963 6.744600 8.042926 2.417708 2.790686 1.390037 1.409882 2.422716 0.000000 4.457261 2.592776 3.245122 3.235462 1.356127 7.797195 1.361373 2.344199 3.931649 4.716335 4.687734 6.489260 5.949307 5.926472 0.000000 3.997653 3.898881 4.562060 4.556546 2.379006 8.424717 2.421222 2.755159 4.950300 5.620563 5.584979 7.213650 6.721192 6.691342 1.432817 0.000000 2.751441 5.008069 5.512651 5.503100 3.626100 9.792442 2.781730 2.406217 6.237338 6.915069 6.878459 8.574801 8.056430 8.024883 2.415338 1.368053 0.000000 1.772663 5.086583 5.391397 5.375296 4.041624 10.465880 2.301007 1.310900 6.595527 7.340648 7.307945 9.170978 8.598275 8.570161 2.685938 2.356569 1.409041 0.000000 12.790675 6.506128 7.192440 6.889769 7.020265 1.011228 9.245558 10.549431 4.737222 4.459599 3.977819 2.041396 3.292933 2.602013 8.361917 9.007860 10.369182 11.023927 0.000000 12.809874 6.507769 6.890640 7.187531 7.030530 1.011242 9.257398 10.563661 4.738547 3.980391 4.459632 2.041991 2.604588 3.292500 8.375526 9.026080 10.388983 11.041632 1.677795 0.000000 8.800869 2.898659 2.599987 4.189782 3.512127 4.578028 5.248393 6.491569 2.151466 1.084782 3.398351 3.415381 2.149801 3.875343 4.633336 5.544992 6.757215 7.107930 5.404607 4.692729 0.000000 8.739972 2.899073 4.205156 2.623098 3.471962 4.576685 5.205348 6.442533 2.152358 3.398670 1.084751 3.414901 3.875305 2.148850 4.582238 5.481340 6.691134 7.048570 4.688827 5.403657 4.292099 0.000000 11.015362 4.920760 4.963669 5.956071 5.426674 2.665552 7.508206 8.778162 3.401348 2.149465 3.877245 2.161984 1.086593 3.408788 6.696830 7.407214 8.718252 9.282084 3.622887 2.428846 2.475787 4.961841 0.000000 10.966273 4.920312 5.966045 4.974889 5.400498 2.664556 7.477507 8.741291 3.401509 3.877299 2.149311 2.162067 3.408713 1.086636 6.661216 7.359611 8.666974 9.236257 2.424775 3.621025 4.961912 2.474643 4.308739 0.000000 4.895339 4.216849 4.995959 4.996439 2.589516 7.929716 3.391178 3.838774 4.890771 5.456517 5.419027 6.817057 6.395035 6.363027 2.176825 1.084438 2.147261 3.366538 8.523675 8.543350 5.470077 5.403896 7.045987 6.994951 0.000000 2.907280 5.997346 6.525050 6.517596 4.528409 10.431835 3.864485 3.375307 7.102688 7.725098 7.685932 9.278513 8.790237 8.755726 3.420979 2.154133 1.083839 2.179564 11.013154 11.035277 7.576187 7.505636 9.413777 9.357083 2.521957 0.000000 1.2089297 0.1313643 0.1268711 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5989,-.498;2.3619,1.1761,-.6994;2.29,2.5702,-.1762;2.3415,1.055,-2.1847;1.3637,.1371,.059;7.6094,-1.0655,1.1262;-.5637,1.2196,-.8403;-1.9025,1.2851,-.9372;3.9413,.5208,-.1643;4.5493,1.0116,.9943;4.575,-.4784,-.9084;6.4189,-.5124,.6779;5.7735,.5025,1.4131;5.7991,-.9907,-.4946;.0196,.2536,-.0788;-.7921,-.6974,.621;-2.1536,-.6186,.513;-2.6521,.4191,-.2995;8.1759,-1.5199,.4225;8.1615,-.4838,1.7421;4.0675,1.8026,1.5591;4.1138,-.8439,-1.8196;6.2421,.8906,2.3133;6.2884,-1.7646,-1.0798;-.3099,-1.4601,1.2224;-2.8191,-1.3087,1.0186; 0.000000 6.793891 0.000000 6.986063 1.490746 0.000000 6.968475 1.490428 2.516438 0.000000 5.813321 1.628250 2.614086 2.614024 0.000000 12.236810 5.991108 6.573453 6.573424 6.449307 0.000000 3.905571 2.929333 3.226293 3.205366 2.386518 8.711368 0.000000 2.631239 4.272401 4.450572 4.429458 3.602520 10.012887 1.343865 0.000000 8.352706 1.791656 2.631842 2.631926 2.615518 4.199629 4.608676 5.943951 0.000000 9.086569 2.771306 2.983897 3.870750 3.433264 3.700822 5.436134 6.740201 1.397433 0.000000 9.053067 2.771013 3.879523 2.994805 3.409828 3.700262 5.412336 6.713237 1.397752 2.416802 0.000000 10.943619 4.605156 5.223023 5.222799 5.134230 1.387086 7.352689 8.665176 2.813502 2.432758 2.432671 0.000000 10.356183 4.068743 4.351474 5.002809 4.627406 2.431425 6.763977 8.065715 2.417700 1.390361 2.790668 1.409687 0.000000 10.326580 4.068296 5.009459 4.358526 4.609889 2.430964 6.744610 8.042940 2.417709 2.790686 1.390037 1.409880 2.422715 0.000000 4.457262 2.592777 3.245118 3.235465 1.356127 7.797192 1.361374 2.344200 3.931649 4.716311 4.687760 6.489258 5.949284 5.926492 0.000000 3.997655 3.898882 4.562054 4.556552 2.379007 8.424716 2.421222 2.755159 4.950303 5.620529 5.585020 7.213650 6.721160 6.691375 1.432816 0.000000 2.751443 5.008069 5.512643 5.503107 3.626101 9.792440 2.781729 2.406217 6.237340 6.915036 6.878500 8.574800 8.056398 8.024916 2.415338 1.368053 0.000000 1.772665 5.086582 5.391388 5.375301 4.041623 10.465878 2.301006 1.310900 6.595526 7.340621 7.307973 9.170976 8.598249 8.570185 2.685938 2.356568 1.409040 0.000000 12.790691 6.506129 7.192436 6.889773 7.020273 1.011229 9.245564 10.549438 4.737225 4.459599 3.977822 2.041397 3.292934 2.602015 8.361926 9.007876 10.369199 11.023939 0.000000 12.809857 6.507767 6.890639 7.187539 7.030518 1.011242 9.257389 10.563648 4.738547 3.980389 4.459631 2.041991 2.604586 3.292499 8.375511 9.026060 10.388963 11.041615 1.677795 0.000000 8.800820 2.898659 2.600008 4.189797 3.512089 4.578028 5.248368 6.491536 2.151468 1.084782 3.398351 3.415381 2.149800 3.875343 4.633293 5.544931 6.757153 7.107882 5.404607 4.692725 0.000000 8.740028 2.899072 4.205139 2.623074 3.472007 4.576687 5.205375 6.442565 2.152356 3.398669 1.084751 3.414899 3.875303 2.148850 4.582287 5.481412 6.691206 7.048622 4.688830 5.403657 4.292099 0.000000 11.015319 4.920758 4.963680 5.956082 5.426644 2.665551 7.508185 8.778133 3.401348 2.149464 3.877243 2.161984 1.086593 3.408787 6.696794 7.407162 8.718199 9.282042 3.622886 2.428843 2.475786 4.961840 0.000000 10.966315 4.920310 5.966032 4.974876 5.400523 2.664559 7.477523 8.741312 3.401509 3.877299 2.149310 2.162066 3.408714 1.086636 6.661246 7.359661 8.667026 9.236294 2.424780 3.621028 4.961912 2.474642 4.308739 0.000000 4.895339 4.216852 4.995957 4.996448 2.589519 7.929718 3.391179 3.838773 4.890779 5.456481 5.419079 6.817060 6.395001 6.363071 2.176825 1.084438 2.147260 3.366537 8.523697 8.543329 5.470009 5.403984 7.045928 6.995015 0.000000 2.907283 5.997346 6.525041 6.517603 4.528409 10.431833 3.864485 3.375307 7.102691 7.725059 7.685978 9.278512 8.790199 8.755765 3.420978 2.154132 1.083839 2.179564 11.013173 11.035252 7.576117 7.505716 9.413714 9.357143 2.521953 0.000000 1.2089296 0.1313643 0.1268711 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5989,-.498;2.3619,1.1761,-.6993;2.29,2.5702,-.1762;2.3415,1.0551,-2.1847;1.3637,.1371,.059;7.6094,-1.0655,1.1262;-.5637,1.2196,-.8403;-1.9025,1.2851,-.9371;3.9413,.5208,-.1642;4.5493,1.0116,.9943;4.5749,-.4784,-.9084;6.4189,-.5124,.6779;5.7735,.5026,1.413;5.7991,-.9907,-.4946;.0196,.2536,-.0788;-.7921,-.6974,.6209;-2.1536,-.6186,.5129;-2.6521,.4191,-.2995;8.1759,-1.5199,.4225;8.1615,-.4838,1.742;4.0676,1.8027,1.559;4.1137,-.844,-1.8196;6.2422,.8906,2.3133;6.2883,-1.7647,-1.0797;-.3099,-1.4602,1.2223;-2.8191,-1.3088,1.0185; 0.000000 6.793890 0.000000 6.986053 1.490745 0.000000 6.968479 1.490428 2.516439 0.000000 5.813322 1.628249 2.614087 2.614020 0.000000 12.236810 5.991108 6.573451 6.573426 6.449306 0.000000 3.905571 2.929331 3.226283 3.205371 2.386518 8.711366 0.000000 2.631239 4.272399 4.450561 4.429464 3.602519 10.012886 1.343865 0.000000 8.352704 1.791656 2.631842 2.631927 2.615515 4.199629 4.608674 5.943948 0.000000 9.086601 2.771305 2.983873 3.870732 3.433309 3.700822 5.436150 6.740219 1.397433 0.000000 9.053030 2.771013 3.879540 2.994831 3.409778 3.700262 5.412315 6.713214 1.397753 2.416802 0.000000 10.943619 4.605156 5.223021 5.222800 5.134228 1.387086 7.352687 8.665174 2.813501 2.432758 2.432670 0.000000 10.356213 4.068742 4.351456 5.002795 4.627440 2.431425 6.763990 8.065730 2.417700 1.390361 2.790668 1.409687 0.000000 10.326549 4.068296 5.009472 4.358544 4.609851 2.430964 6.744594 8.042920 2.417709 2.790686 1.390037 1.409880 2.422715 0.000000 4.457263 2.592775 3.245114 3.235465 1.356126 7.797191 1.361374 2.344200 3.931647 4.716350 4.687716 6.489256 5.949316 5.926456 0.000000 3.997656 3.898881 4.562052 4.556550 2.379007 8.424716 2.421222 2.755159 4.950301 5.620588 5.584956 7.213650 6.721211 6.691322 1.432816 0.000000 2.751443 5.008068 5.512638 5.503107 3.626101 9.792441 2.781729 2.406216 6.237338 6.915089 6.878442 8.574801 8.056445 8.024868 2.415338 1.368054 0.000000 1.772665 5.086580 5.391379 5.375304 4.041623 10.465878 2.301006 1.310901 6.595524 7.340656 7.307934 9.170975 8.598280 8.570152 2.685939 2.356568 1.409040 0.000000 12.790676 6.506130 7.192444 6.889778 7.020257 1.011229 9.245556 10.549428 4.737226 4.459600 3.977823 2.041397 3.292934 2.602016 8.361910 9.007852 10.369176 11.023923 0.000000 12.809872 6.507765 6.890633 7.187529 7.030531 1.011242 9.257393 10.563654 4.738546 3.980388 4.459631 2.041990 2.604585 3.292500 8.375524 9.026084 10.388986 11.041629 1.677796 0.000000 8.800878 2.898655 2.599959 4.189764 3.512166 4.578029 5.248396 6.491568 2.151466 1.084782 3.398350 3.415382 2.149801 3.875343 4.633363 5.545036 6.757249 7.107944 5.404608 4.692725 0.000000 8.739965 2.899076 4.205170 2.623126 3.471924 4.576686 5.205341 6.442527 2.152358 3.398671 1.084751 3.414899 3.875303 2.148849 4.582210 5.481300 6.691104 7.048554 4.688830 5.403656 4.292099 0.000000 11.015370 4.920757 4.963653 5.956060 5.426697 2.665551 7.508208 8.778160 3.401348 2.149464 3.877243 2.161984 1.086593 3.408787 6.696846 7.407246 8.718279 9.282094 3.622885 2.428840 2.475788 4.961840 0.000000 10.966263 4.920310 5.966051 4.974903 5.400467 2.664560 7.477496 8.741281 3.401508 3.877299 2.149310 2.162067 3.408714 1.086636 6.661190 7.359576 8.666946 9.236240 2.424783 3.621030 4.961912 2.474639 4.308739 0.000000 4.895340 4.216853 4.995960 4.996445 2.589520 7.929719 3.391180 3.838773 4.890779 5.456557 5.419000 6.817061 6.395068 6.363004 2.176826 1.084438 2.147260 3.366537 8.523667 8.543362 5.470143 5.403846 7.046038 6.994908 0.000000 2.907284 5.997344 6.525037 6.517602 4.528409 10.431833 3.864485 3.375307 7.102688 7.725120 7.685911 9.278512 8.790255 8.755707 3.420978 2.154132 1.083839 2.179564 11.013145 11.035281 7.576227 7.505599 9.413809 9.357048 2.521952 0.000000 1.2089311 0.1313644 0.1268711 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5989,-.498;2.3619,1.1761,-.6994;2.29,2.5702,-.1762;2.3415,1.0551,-2.1847;1.3637,.1371,.059;7.6094,-1.0655,1.1262;-.5637,1.2196,-.8403;-1.9025,1.2851,-.9372;3.9413,.5208,-.1643;4.5493,1.0116,.9943;4.575,-.4784,-.9084;6.4189,-.5124,.6779;5.7735,.5026,1.4131;5.7991,-.9907,-.4946;.0196,.2536,-.0788;-.7921,-.6974,.6209;-2.1536,-.6186,.513;-2.6521,.4191,-.2995;8.1759,-1.5199,.4225;8.1615,-.4838,1.742;4.0676,1.8026,1.5591;4.1138,-.844,-1.8196;6.2421,.8906,2.3133;6.2883,-1.7646,-1.0797;-.3099,-1.4602,1.2224;-2.8191,-1.3087,1.0185; 0.000000 6.793890 0.000000 6.986055 1.490745 0.000000 6.968479 1.490428 2.516439 0.000000 5.813322 1.628250 2.614086 2.614022 0.000000 12.236809 5.991108 6.573452 6.573425 6.449306 0.000000 3.905571 2.929332 3.226287 3.205369 2.386518 8.711366 0.000000 2.631239 4.272399 4.450564 4.429462 3.602519 10.012886 1.343865 0.000000 8.352704 1.791656 2.631842 2.631927 2.615516 4.199629 4.608674 5.943949 0.000000 9.086584 2.771305 2.983884 3.870741 3.433287 3.700821 5.436141 6.740209 1.397433 0.000000 9.053049 2.771013 3.879532 2.994819 3.409801 3.700262 5.412325 6.713225 1.397752 2.416802 0.000000 10.943618 4.605156 5.223022 5.222800 5.134228 1.387086 7.352687 8.665174 2.813501 2.432758 2.432670 0.000000 10.356197 4.068742 4.351464 5.002801 4.627423 2.431425 6.763983 8.065721 2.417700 1.390361 2.790668 1.409687 0.000000 10.326565 4.068296 5.009465 4.358536 4.609869 2.430964 6.744602 8.042930 2.417709 2.790686 1.390037 1.409880 2.422715 0.000000 4.457263 2.592776 3.245115 3.235466 1.356126 7.797191 1.361374 2.344200 3.931647 4.716330 4.687737 6.489256 5.949299 5.926473 0.000000 3.997656 3.898881 4.562051 4.556552 2.379007 8.424715 2.421222 2.755159 4.950302 5.620558 5.584987 7.213649 6.721185 6.691347 1.432816 0.000000 2.751443 5.008068 5.512638 5.503109 3.626101 9.792440 2.781729 2.406216 6.237339 6.915061 6.878470 8.574800 8.056420 8.024892 2.415338 1.368054 0.000000 1.772665 5.086581 5.391381 5.375305 4.041623 10.465877 2.301006 1.310901 6.595525 7.340637 7.307954 9.170975 8.598263 8.570168 2.685939 2.356568 1.409040 0.000000 12.790684 6.506130 7.192440 6.889776 7.020265 1.011229 9.245560 10.549433 4.737226 4.459599 3.977823 2.041397 3.292934 2.602016 8.361918 9.007864 10.369188 11.023932 0.000000 12.809863 6.507766 6.890635 7.187534 7.030524 1.011242 9.257390 10.563649 4.738546 3.980388 4.459631 2.041991 2.604585 3.292500 8.375516 9.026070 10.388973 11.041620 1.677795 0.000000 8.800846 2.898657 2.599982 4.189779 3.512128 4.578029 5.248381 6.491550 2.151467 1.084782 3.398350 3.415382 2.149800 3.875343 4.633327 5.544983 6.757200 7.107911 5.404607 4.692725 0.000000 8.739998 2.899074 4.205156 2.623102 3.471963 4.576686 5.205358 6.442547 2.152357 3.398670 1.084751 3.414899 3.875303 2.148849 4.582247 5.481355 6.691155 7.048589 4.688830 5.403656 4.292099 0.000000 11.015343 4.920758 4.963665 5.956070 5.426671 2.665551 7.508196 8.778145 3.401348 2.149464 3.877243 2.161984 1.086593 3.408787 6.696820 7.407203 8.718238 9.282066 3.622885 2.428840 2.475787 4.961840 0.000000 10.966290 4.920310 5.966042 4.974891 5.400493 2.664560 7.477509 8.741297 3.401508 3.877299 2.149310 2.162067 3.408714 1.086636 6.661217 7.359618 8.666986 9.236267 2.424783 3.621029 4.961912 2.474640 4.308739 0.000000 4.895339 4.216853 4.995957 4.996448 2.589520 7.929718 3.391179 3.838773 4.890779 5.456519 5.419039 6.817060 6.395035 6.363037 2.176826 1.084438 2.147260 3.366536 8.523682 8.543344 5.470076 5.403914 7.045984 6.994960 0.000000 2.907284 5.997345 6.525036 6.517605 4.528409 10.431832 3.864484 3.375307 7.102688 7.725088 7.685944 9.278511 8.790226 8.755735 3.420977 2.154132 1.083839 2.179564 11.013159 11.035264 7.576170 7.505658 9.413760 9.357095 2.521952 0.000000 1.2089302 0.1313644 0.1268711 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5989,-.498;2.3619,1.1761,-.6994;2.29,2.5702,-.1762;2.3415,1.0551,-2.1847;1.3637,.1371,.059;7.6094,-1.0655,1.1262;-.5637,1.2196,-.8403;-1.9025,1.2851,-.9372;3.9413,.5208,-.1643;4.5493,1.0116,.9943;4.575,-.4784,-.9084;6.4189,-.5124,.6779;5.7735,.5026,1.4131;5.7991,-.9907,-.4946;.0196,.2536,-.0788;-.7921,-.6974,.6209;-2.1536,-.6186,.513;-2.6521,.4191,-.2995;8.1759,-1.5199,.4225;8.1615,-.4838,1.742;4.0676,1.8026,1.5591;4.1138,-.844,-1.8196;6.2421,.8906,2.3133;6.2883,-1.7646,-1.0797;-.3099,-1.4602,1.2224;-2.8191,-1.3087,1.0185; 0.000000 6.793890 0.000000 6.986055 1.490745 0.000000 6.968479 1.490428 2.516439 0.000000 5.813322 1.628250 2.614086 2.614022 0.000000 12.236809 5.991108 6.573452 6.573425 6.449306 0.000000 3.905571 2.929332 3.226287 3.205369 2.386518 8.711366 0.000000 2.631239 4.272399 4.450564 4.429462 3.602519 10.012886 1.343865 0.000000 8.352704 1.791656 2.631842 2.631927 2.615516 4.199629 4.608674 5.943949 0.000000 9.086584 2.771305 2.983884 3.870741 3.433287 3.700821 5.436141 6.740209 1.397433 0.000000 9.053049 2.771013 3.879532 2.994819 3.409801 3.700262 5.412325 6.713225 1.397752 2.416802 0.000000 10.943618 4.605156 5.223022 5.222800 5.134228 1.387086 7.352687 8.665174 2.813501 2.432758 2.432670 0.000000 10.356197 4.068742 4.351464 5.002801 4.627423 2.431425 6.763983 8.065721 2.417700 1.390361 2.790668 1.409687 0.000000 10.326565 4.068296 5.009465 4.358536 4.609869 2.430964 6.744602 8.042930 2.417709 2.790686 1.390037 1.409880 2.422715 0.000000 4.457263 2.592776 3.245115 3.235466 1.356126 7.797191 1.361374 2.344200 3.931647 4.716330 4.687737 6.489256 5.949299 5.926473 0.000000 3.997656 3.898881 4.562051 4.556552 2.379007 8.424715 2.421222 2.755159 4.950302 5.620558 5.584987 7.213649 6.721185 6.691347 1.432816 0.000000 2.751443 5.008068 5.512638 5.503109 3.626101 9.792440 2.781729 2.406216 6.237339 6.915061 6.878470 8.574800 8.056420 8.024892 2.415338 1.368054 0.000000 1.772665 5.086581 5.391381 5.375305 4.041623 10.465877 2.301006 1.310901 6.595525 7.340637 7.307954 9.170975 8.598263 8.570168 2.685939 2.356568 1.409040 0.000000 12.790684 6.506130 7.192440 6.889776 7.020265 1.011229 9.245560 10.549433 4.737226 4.459599 3.977823 2.041397 3.292934 2.602016 8.361918 9.007864 10.369188 11.023932 0.000000 12.809863 6.507766 6.890635 7.187534 7.030524 1.011242 9.257390 10.563649 4.738546 3.980388 4.459631 2.041991 2.604585 3.292500 8.375516 9.026070 10.388973 11.041620 1.677795 0.000000 8.800846 2.898657 2.599982 4.189779 3.512128 4.578029 5.248381 6.491550 2.151467 1.084782 3.398350 3.415382 2.149800 3.875343 4.633327 5.544983 6.757200 7.107911 5.404607 4.692725 0.000000 8.739998 2.899074 4.205156 2.623102 3.471963 4.576686 5.205358 6.442547 2.152357 3.398670 1.084751 3.414899 3.875303 2.148849 4.582247 5.481355 6.691155 7.048589 4.688830 5.403656 4.292099 0.000000 11.015343 4.920758 4.963665 5.956070 5.426671 2.665551 7.508196 8.778145 3.401348 2.149464 3.877243 2.161984 1.086593 3.408787 6.696820 7.407203 8.718238 9.282066 3.622885 2.428840 2.475787 4.961840 0.000000 10.966290 4.920310 5.966042 4.974891 5.400493 2.664560 7.477509 8.741297 3.401508 3.877299 2.149310 2.162067 3.408714 1.086636 6.661217 7.359618 8.666986 9.236267 2.424783 3.621029 4.961912 2.474640 4.308739 0.000000 4.895339 4.216853 4.995957 4.996448 2.589520 7.929718 3.391179 3.838773 4.890779 5.456519 5.419039 6.817060 6.395035 6.363037 2.176826 1.084438 2.147260 3.366536 8.523682 8.543344 5.470076 5.403914 7.045984 6.994960 0.000000 2.907284 5.997345 6.525036 6.517605 4.528409 10.431832 3.864484 3.375307 7.102688 7.725088 7.685944 9.278511 8.790226 8.755735 3.420977 2.154132 1.083839 2.179564 11.013159 11.035264 7.576170 7.505658 9.413760 9.357095 2.521952 0.000000 1.2089302 0.1313644 0.1268711 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 17 16 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 -0.027826447 0.005628973 -0.009400853 -0.107438517 0.070902857 -0.063465486 0.024358967 -0.073329266 -0.007157482 0.033890604 -0.002158562 0.071817797 0.048323188 -0.002745606 0.003369868 0.042901158 -0.014470876 0.011762185 0.009780515 0.008426066 -0.006040981 -0.035699269 -0.003027255 -0.000184509 0.013326286 -0.011978191 0.010947492 0.004352954 0.001404441 0.000977800 0.000669961 -0.004136065 -0.000242984 -0.033824513 0.010959636 -0.010143379 -0.018465528 0.008974590 -0.009300883 -0.021170493 0.005338951 0.000174562 0.008558889 0.010109300 -0.011812220 -0.027611534 -0.008404054 0.005566688 0.014667774 -0.004675310 0.007567263 0.064961146 -0.001432848 0.008339475 0.005881467 0.004423708 -0.006151241 -0.001313290 -0.005937595 0.007346844 0.001704227 -0.001394135 -0.002655039 0.000217494 0.003167124 0.002932414 -0.000839914 -0.001943850 -0.003354106 -0.001044824 0.002745359 0.002717374 -0.001075159 0.001885778 -0.002934980 0.002714858 0.001666829 -0.000675619 0.107438517 0.024992470 4 -1613.78446989 PT13743.200S 2019-06-11T17:40:34.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 Cl S O O N N N N C C C C C C C C C C H H H H H H H H -0.008092 1.108113 -0.668002 -0.669948 -0.737515 -0.720135 -0.378090 -0.317130 -0.160845 -0.105628 -0.107308 0.272044 -0.089784 -0.088447 0.471368 -0.084673 -0.077119 0.069640 0.290365 0.290598 0.128005 0.127350 0.111766 0.111591 0.107740 0.124135 -1.00000 -14.34479 -14.34191 -14.29630 -10.26983 -10.25373 -10.23583 -10.21482 -10.20441 -10.19913 -10.19663 -10.19650 -10.18763 -10.18756 -9.46699 -8.10462 -7.23072 -7.22136 -7.22107 -6.06929 -6.06916 -6.06794 -1.06925 -1.00810 -0.95664 -0.92069 -0.89860 -0.86378 -0.84375 -0.80273 -0.77447 -0.74878 -0.73784 -0.67283 -0.64007 -0.61683 -0.60958 -0.57364 -0.53152 -0.51661 -0.50980 -0.50498 -0.47857 -0.47189 -0.44254 -0.44146 -0.43295 -0.42193 -0.42179 -0.41693 -0.41226 -0.39381 -0.38393 -0.36080 -0.34397 -0.34328 -0.32641 -0.31847 -0.31566 -0.31401 -0.29666 -0.28099 -0.28073 -0.26833 -0.26460 -0.25526 -0.22784 -0.20696 -0.19806 -0.03982 -0.00677 -0.00140 0.00209 0.02943 0.08743 0.10178 0.11430 0.12129 0.12668 0.13062 0.14218 0.15530 0.17190 0.17550 0.17874 0.18897 0.20235 0.21430 0.22264 0.24750 0.25911 0.29045 0.30233 0.31490 0.31917 0.34209 0.34474 0.35457 0.36936 0.38186 0.40010 0.40675 0.42243 0.42379 0.44116 0.45083 0.49148 0.49584 0.52292 0.52694 0.53909 0.54613 0.55102 0.55662 0.56995 0.57495 0.58223 0.58686 0.59204 0.59412 0.60056 0.60661 0.62280 0.62501 0.63079 0.64123 0.64829 0.66062 0.67930 0.69886 0.71138 0.72564 0.73536 0.75955 0.76871 0.77860 0.78665 0.78701 0.79637 0.81452 0.81556 0.82057 0.83212 0.84191 0.85488 0.85723 0.85767 0.85842 0.87609 0.88351 0.88594 0.88739 0.89802 0.92031 0.92773 0.93080 0.95289 0.95591 0.96465 0.99081 0.99151 0.99985 1.00156 1.03158 1.03868 1.05185 1.05539 1.07885 1.08877 1.09719 1.11209 1.12239 1.15390 1.16378 1.18756 1.19807 1.19866 1.22138 1.24150 1.26526 1.28065 1.29297 1.30175 1.31696 1.34404 1.34561 1.38087 1.39228 1.40172 1.40816 1.41292 1.43689 1.44945 1.45832 1.49973 1.50932 1.53773 1.55911 1.56088 1.57405 1.58459 1.70910 1.73707 1.75184 1.75931 1.76886 1.78227 1.78348 1.80580 1.81540 1.83672 1.83958 1.84586 1.85660 1.86043 1.86402 1.88258 1.90054 1.91766 1.91904 1.93272 1.94999 1.95519 1.95876 1.96625 1.97563 2.02214 2.04266 2.05218 2.06218 2.07840 2.10532 2.11429 2.12607 2.14351 2.17500 2.18387 2.21592 2.21740 2.23071 2.24800 2.27329 2.28146 2.32404 2.32896 2.33586 2.34744 2.35186 2.39823 2.40666 2.40754 2.41404 2.45305 2.46842 2.47433 2.47639 2.48535 2.48795 2.49677 2.52065 2.52383 2.56345 2.56951 2.60031 2.61302 2.65991 2.67364 2.67536 2.69904 2.70917 2.71092 2.73875 2.74885 2.76560 2.76643 2.80052 2.85841 2.85884 2.91154 2.95795 2.98787 2.99695 3.02852 3.06729 3.19215 3.21910 3.25213 3.25815 3.27011 3.27708 3.28561 3.36118 3.50627 3.55289 3.69988 3.78571 3.80251 3.87710 3.97387 4.04868 4.08267 4.10375 4.13480 4.15727 4.15892 4.20102 4.23612 4.28501 4.31136 4.35990 4.43306 4.43798 4.68152 4.80550 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 Cl S O O N N N N C C C C C C C C C C H H H H H H H H -0.057810 1.107360 -0.620333 -0.621322 -0.701046 -0.670793 -0.409916 -0.309297 -0.179482 -0.106126 -0.105464 0.272791 -0.126883 -0.126812 0.447527 -0.073795 -0.058778 0.089707 0.283793 0.283740 0.114447 0.114139 0.101377 0.101545 0.116825 0.134607 -1.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.1754 -10.2838 7.2292 12.6253 -91.3429 -136.4076 -126.8708 -8.2423 6.6027 12.8119 26.8642 -18.2006 -8.6637 -8.2423 6.6027 12.8119 -54.8976 -190.3758 83.3209 -213.3719 -130.5715 95.3298 -188.3361 -59.9268 30.4205 37.0439 -6689.3301 -967.6549 -716.4582 -312.4114 162.3850 1.6952 153.5760 -195.0716 168.0438 -2027.3338 -1857.6118 -270.3739 249.6201 -122.9127 42.9145 0 -1613.7844699 4.897E-9 4.12E-6 19.9728944,-13.5316685,-6.4412258,-6.1279268,4.9089626,9.5253265 C01 [X(C10H8Cl1N4O2S1)] 3.4900268 -3.2534642 2.5357274 -0.000000526 -0.000011625 -0.000003797 -0.000001317 -0.000002064 -0.000002367 -0.000003579 -0.000001108 -0.000005159 -0.000000535 -0.000005064 -0.000002057 -0.000000068 -0.000002054 -0.000000628 0.000001290 0.000009292 0.000004190 -0.000001327 -0.000006659 -0.000003545 -0.000001374 -0.000008794 -0.000004178 -0.000000531 0.000001250 -0.000000452 -0.000001710 0.000004573 -0.000001125 0.000001206 0.000000776 0.000001832 0.000000623 0.000006676 0.000002633 -0.000001124 0.000007181 0.000000336 0.000001758 0.000003398 0.000003337 -0.000000220 -0.000004263 -0.000001420 0.000000944 -0.000004069 0.000000217 0.000000840 -0.000006272 -0.000000495 -0.000000368 -0.000008686 -0.000002767 0.000002239 0.000008730 0.000005329 0.000000190 0.000011352 0.000003243 -0.000003127 0.000004976 -0.000002934 0.000002101 -0.000001741 0.000002418 -0.000002052 0.000009676 -0.000000260 0.000003165 0.000002940 0.000005097 0.000001820 -0.000002164 0.000001912 0.000001683 -0.000006259 0.000000642 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5989,-.498;2.3619,1.1761,-.6994;2.29,2.5702,-.1762;2.3415,1.0551,-2.1847;1.3637,.1371,.059;7.6094,-1.0655,1.1262;-.5637,1.2196,-.8403;-1.9025,1.2851,-.9372;3.9413,.5208,-.1643;4.5493,1.0116,.9943;4.5749,-.4784,-.9084;6.4189,-.5124,.6779;5.7735,.5026,1.4131;5.7991,-.9907,-.4946;.0196,.2536,-.0788;-.7921,-.6974,.6209;-2.1536,-.6186,.513;-2.6521,.4191,-.2995;8.1759,-1.5199,.4225;8.1615,-.4838,1.742;4.0676,1.8026,1.5591;4.1138,-.844,-1.8196;6.2421,.8906,2.3133;6.2883,-1.7646,-1.0797;-.3099,-1.4602,1.2224;-2.8191,-1.3087,1.0185; Gaussian 16 GINC-ART ANDREA NEW-compound opt 6-31G** ES64L-G16RevA.03 RB3LYP 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check Test GenChk RB3LYP/6-31G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5989,-.498;2.3619,1.1761,-.6994;2.29,2.5702,-.1762;2.3415,1.0551,-2.1847;1.3637,.1371,.059;7.6094,-1.0655,1.1262;-.5637,1.2196,-.8403;-1.9025,1.2851,-.9372;3.9413,.5208,-.1643;4.5493,1.0116,.9943;4.575,-.4784,-.9084;6.4189,-.5124,.6779;5.7735,.5026,1.4131;5.7991,-.9907,-.4946;.0196,.2536,-.0788;-.7921,-.6974,.6209;-2.1536,-.6186,.513;-2.6521,.4191,-.2995;8.1759,-1.5199,.4225;8.1615,-.4838,1.742;4.0676,1.8026,1.5591;4.1138,-.844,-1.8196;6.2421,.8906,2.3133;6.2883,-1.7646,-1.0797;-.3099,-1.4602,1.2224;-2.8191,-1.3087,1.0185; NEW-compound opt 6-31G** Redundant internal coordinates found in file. (old form). Charge = -1 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 1 2 2 2 2 5 6 6 6 7 7 8 9 9 10 10 11 11 12 12 13 14 15 16 16 17 17 18 3 4 5 9 15 12 19 20 8 15 18 10 11 13 21 14 22 13 14 23 24 16 17 25 18 26 1.7727 1.4907 1.4904 1.6282 1.7917 1.3561 1.3871 1.0112 1.0112 1.3439 1.3614 1.3109 1.3974 1.3978 1.3904 1.0848 1.39 1.0848 1.4097 1.4099 1.0866 1.0866 1.4328 1.3681 1.0844 1.409 1.0838 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 3 3 3 4 4 5 2 12 12 19 8 7 2 2 10 9 9 13 9 9 14 6 6 13 10 10 12 11 11 12 5 5 7 15 15 17 16 16 18 1 1 8 2 2 2 2 2 2 5 6 6 6 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 4 5 9 5 9 9 15 19 20 20 15 18 10 11 11 13 21 21 14 22 22 13 14 14 12 23 23 12 24 24 7 16 16 17 25 25 18 26 26 8 17 17 115.1535 113.8112 106.2438 113.8245 106.2629 99.6665 120.3617 115.7943 115.8483 112.1106 120.1168 120.1602 120.1793 120.1385 119.681 120.2798 119.6369 120.0779 120.2808 119.6957 120.018 120.7684 120.7163 118.4651 120.6437 119.9048 119.4511 120.6458 119.9143 119.4394 122.8526 117.0555 120.0919 119.1456 119.0635 121.7909 116.106 122.5148 121.3792 116.3469 119.2736 124.3795 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 3 4 9 3 3 4 4 5 5 2 2 19 19 20 20 15 8 8 7 7 2 2 11 11 2 2 10 10 9 9 21 21 9 9 22 22 6 6 14 14 6 6 13 13 5 5 7 7 15 15 25 25 16 16 26 26 2 2 2 2 2 2 2 2 2 5 5 6 6 6 6 7 7 7 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 15 15 15 15 16 16 16 16 17 17 17 17 5 5 5 9 9 9 9 9 9 15 15 12 12 12 12 8 15 15 18 18 10 10 10 10 11 11 11 11 13 13 13 13 14 14 14 14 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 15 15 15 10 11 10 11 10 11 7 16 13 14 13 14 18 5 16 1 17 13 21 13 21 14 22 14 22 12 23 12 23 12 24 12 24 10 23 10 23 11 24 11 24 17 25 17 25 18 26 18 26 1 8 1 8 67.9343 -66.7115 -179.4021 27.0734 -152.5434 150.1777 -29.4391 -91.3638 89.0194 0.0688 -179.9336 -158.6044 24.0098 -24.2847 158.3295 -0.0326 -179.9356 0.0668 179.9888 -0.0081 179.8604 -0.9853 -0.521 178.6333 -179.8771 0.9696 0.5042 -178.6491 0.0384 179.8275 -179.1122 0.6769 -0.0046 -179.7583 179.1459 -0.6078 -176.9905 3.2194 0.453 -179.337 176.9751 -3.2701 -0.4699 179.285 179.9408 -0.0302 -0.0615 179.9675 0.0221 -179.9761 179.9923 -0.0059 -179.9845 0.0124 0.0137 -179.9895 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00076 0.00558 0.00641 0.01072 0.01257 0.01376 0.01588 0.01731 0.01746 0.01937 0.02180 0.02252 0.02258 0.02416 0.02765 0.02778 0.02832 0.02846 0.03011 0.03613 0.04597 0.10439 0.11092 0.11295 0.11528 0.11782 0.12540 0.13007 0.13128 0.14322 0.14884 0.14958 0.16871 0.17104 0.17415 0.18394 0.18436 0.19187 0.19588 0.19747 0.20544 0.21086 0.21410 0.25074 0.25324 0.25903 0.29420 0.31471 0.31593 0.33685 0.35716 0.35884 0.36431 0.36555 0.36607 0.36663 0.37832 0.38462 0.39465 0.41780 0.44768 0.44958 0.46116 0.46783 0.47146 0.47919 0.51130 0.51206 0.52333 0.52468 0.53939 0.55433 Angle between quadratic step and forces= 80.85 degrees. 1 2 0.00000972 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 3.34985 2.81710 2.81650 3.07695 3.38574 2.56271 2.62121 1.91095 1.91097 2.53954 2.57262 2.47724 2.64077 2.64137 2.62740 2.04994 2.62679 2.04988 2.66392 2.66429 2.05336 2.05344 2.70763 2.58525 2.04929 2.66270 2.04816 2.00981 1.98638 1.85430 1.98661 1.85464 1.73951 2.10071 2.02099 2.02193 1.95670 2.09643 2.09719 2.09753 2.09681 2.08883 2.09928 2.08806 2.09575 2.09930 2.08908 2.09471 2.10781 2.10690 2.06761 2.10563 2.09273 2.08482 2.10567 2.09290 2.08461 2.14418 2.04300 2.09600 2.07948 2.07805 2.12565 2.02643 2.13829 2.11847 2.03064 2.08172 2.17083 1.18568 -1.16434 -3.13116 0.47252 -2.66238 2.62109 -0.51381 -1.59460 1.55368 0.00120 -3.14043 -2.76817 0.41905 -0.42385 2.76337 -0.00057 -3.14047 0.00117 3.14140 -0.00014 3.13916 -0.01720 -0.00909 3.11774 -3.13945 0.01692 0.00880 -3.11801 0.00067 3.13858 -3.12610 0.01181 -0.00008 -3.13737 3.12669 -0.01061 -3.08907 0.05619 0.00791 -3.13002 3.08880 -0.05707 -0.00820 3.12911 3.14056 -0.00053 -0.00107 3.14102 0.00039 -3.14118 3.14146 -0.00010 -3.14132 0.00022 0.00024 -3.14141 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 3.34985 2.81710 2.81650 3.07695 3.38574 2.56271 2.62121 1.91095 1.91097 2.53954 2.57262 2.47724 2.64077 2.64137 2.62740 2.04994 2.62679 2.04988 2.66392 2.66429 2.05336 2.05344 2.70763 2.58525 2.04929 2.66270 2.04816 2.00981 1.98638 1.85430 1.98661 1.85464 1.73951 2.10071 2.02099 2.02193 1.95670 2.09643 2.09719 2.09753 2.09681 2.08883 2.09928 2.08806 2.09575 2.09930 2.08908 2.09471 2.10781 2.10690 2.06761 2.10563 2.09273 2.08482 2.10567 2.09290 2.08461 2.14418 2.04300 2.09600 2.07948 2.07805 2.12565 2.02643 2.13829 2.11847 2.03064 2.08172 2.17083 1.18568 -1.16434 -3.13116 0.47251 -2.66240 2.62108 -0.51382 -1.59461 1.55367 0.00120 -3.14043 -2.76817 0.41905 -0.42385 2.76337 -0.00057 -3.14047 0.00117 3.14140 -0.00014 3.13916 -0.01720 -0.00909 3.11774 -3.13945 0.01692 0.00880 -3.11801 0.00067 3.13858 -3.12610 0.01181 -0.00008 -3.13737 3.12669 -0.01061 -3.08907 0.05619 0.00791 -3.13002 3.08880 -0.05707 -0.00820 3.12911 3.14056 -0.00053 -0.00107 3.14102 0.00039 -3.14118 3.14146 -0.00010 -3.14132 0.00022 0.00024 -3.14141 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000026 0.000010 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -5.973967e-13 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 1 2 2 2 2 5 6 6 6 7 7 8 9 9 10 10 11 11 12 12 13 14 15 16 16 17 17 18 3 4 5 9 15 12 19 20 8 15 18 10 11 13 21 14 22 13 14 23 24 16 17 25 18 26 1.7727 1.4907 1.4904 1.6282 1.7917 1.3561 1.3871 1.0112 1.0112 1.3439 1.3614 1.3109 1.3974 1.3978 1.3904 1.0848 1.39 1.0848 1.4097 1.4099 1.0866 1.0866 1.4328 1.3681 1.0844 1.409 1.0838 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 3 3 3 4 4 5 2 12 12 19 8 7 2 2 10 9 9 13 9 9 14 6 6 13 10 10 12 11 11 12 5 5 7 15 15 17 16 16 18 1 1 8 2 2 2 2 2 2 5 6 6 6 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 4 5 9 5 9 9 15 19 20 20 15 18 10 11 11 13 21 21 14 22 22 13 14 14 12 23 23 12 24 24 7 16 16 17 25 25 18 26 26 8 17 17 115.1535 113.8112 106.2438 113.8245 106.2629 99.6665 120.3617 115.7943 115.8483 112.1106 120.1168 120.1602 120.1793 120.1385 119.681 120.2798 119.6369 120.0779 120.2808 119.6957 120.018 120.7684 120.7163 118.4651 120.6437 119.9048 119.4511 120.6458 119.9143 119.4394 122.8526 117.0555 120.0919 119.1456 119.0635 121.7909 116.106 122.5148 121.3792 116.3469 119.2736 124.3795 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 3 4 9 3 3 4 4 5 5 2 2 19 19 20 20 15 8 8 7 7 2 2 11 11 2 2 10 10 9 9 21 21 9 9 22 22 6 6 14 14 6 6 13 13 5 5 7 7 15 15 25 25 16 16 26 2 2 2 2 2 2 2 2 2 5 5 6 6 6 6 7 7 7 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 15 15 15 15 16 16 16 16 17 17 17 5 5 5 9 9 9 9 9 9 15 15 12 12 12 12 8 15 15 18 18 10 10 10 10 11 11 11 11 13 13 13 13 14 14 14 14 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 15 15 15 10 11 10 11 10 11 7 16 13 14 13 14 18 5 16 1 17 13 21 13 21 14 22 14 22 12 23 12 23 12 24 12 24 10 23 10 23 11 24 11 24 17 25 17 25 18 26 18 26 1 8 1 67.9343 -66.7115 -179.4021 27.0734 -152.5434 150.1777 -29.4391 -91.3638 89.0194 0.0688 -179.9336 -158.6044 24.0098 -24.2847 158.3295 -0.0326 -179.9356 0.0668 179.9888 -0.0081 179.8604 -0.9853 -0.521 178.6333 -179.8771 0.9696 0.5042 -178.6491 0.0384 179.8275 -179.1122 0.6769 -0.0046 -179.7583 179.1459 -0.6078 -176.9905 3.2194 0.453 -179.337 176.9751 -3.2701 -0.4699 179.285 179.9408 -0.0302 -0.0615 179.9675 0.0221 -179.9761 179.9923 -0.0059 -179.9845 0.0124 0.0137 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-31G(d,p) (6D, 7F) 26 26 26 1.00e+00 60 F 0.000000 6.793890 0.000000 6.986055 1.490745 0.000000 6.968479 1.490428 2.516439 0.000000 5.813322 1.628250 2.614086 2.614022 0.000000 12.236809 5.991108 6.573452 6.573425 6.449306 0.000000 3.905571 2.929332 3.226287 3.205369 2.386518 8.711366 0.000000 2.631239 4.272399 4.450564 4.429462 3.602519 10.012886 1.343865 0.000000 8.352704 1.791656 2.631842 2.631927 2.615516 4.199629 4.608674 5.943949 0.000000 9.086584 2.771305 2.983884 3.870741 3.433287 3.700821 5.436141 6.740209 1.397433 0.000000 9.053049 2.771013 3.879532 2.994819 3.409801 3.700262 5.412325 6.713225 1.397752 2.416802 0.000000 10.943618 4.605156 5.223022 5.222800 5.134228 1.387086 7.352687 8.665174 2.813501 2.432758 2.432670 0.000000 10.356197 4.068742 4.351464 5.002801 4.627423 2.431425 6.763983 8.065721 2.417700 1.390361 2.790668 1.409687 0.000000 10.326565 4.068296 5.009465 4.358536 4.609869 2.430964 6.744602 8.042930 2.417709 2.790686 1.390037 1.409880 2.422715 0.000000 4.457263 2.592776 3.245115 3.235466 1.356126 7.797191 1.361374 2.344200 3.931647 4.716330 4.687737 6.489256 5.949299 5.926473 0.000000 3.997656 3.898881 4.562051 4.556552 2.379007 8.424715 2.421222 2.755159 4.950302 5.620558 5.584987 7.213649 6.721185 6.691347 1.432816 0.000000 2.751443 5.008068 5.512638 5.503109 3.626101 9.792440 2.781729 2.406216 6.237339 6.915061 6.878470 8.574800 8.056420 8.024892 2.415338 1.368054 0.000000 1.772665 5.086581 5.391381 5.375305 4.041623 10.465877 2.301006 1.310901 6.595525 7.340637 7.307954 9.170975 8.598263 8.570168 2.685939 2.356568 1.409040 0.000000 12.790684 6.506130 7.192440 6.889776 7.020265 1.011229 9.245560 10.549433 4.737226 4.459599 3.977823 2.041397 3.292934 2.602016 8.361918 9.007864 10.369188 11.023932 0.000000 12.809863 6.507766 6.890635 7.187534 7.030524 1.011242 9.257390 10.563649 4.738546 3.980388 4.459631 2.041991 2.604585 3.292500 8.375516 9.026070 10.388973 11.041620 1.677795 0.000000 8.800846 2.898657 2.599982 4.189779 3.512128 4.578029 5.248381 6.491550 2.151467 1.084782 3.398350 3.415382 2.149800 3.875343 4.633327 5.544983 6.757200 7.107911 5.404607 4.692725 0.000000 8.739998 2.899074 4.205156 2.623102 3.471963 4.576686 5.205358 6.442547 2.152357 3.398670 1.084751 3.414899 3.875303 2.148849 4.582247 5.481355 6.691155 7.048589 4.688830 5.403656 4.292099 0.000000 11.015343 4.920758 4.963665 5.956070 5.426671 2.665551 7.508196 8.778145 3.401348 2.149464 3.877243 2.161984 1.086593 3.408787 6.696820 7.407203 8.718238 9.282066 3.622885 2.428840 2.475787 4.961840 0.000000 10.966290 4.920310 5.966042 4.974891 5.400493 2.664560 7.477509 8.741297 3.401508 3.877299 2.149310 2.162067 3.408714 1.086636 6.661217 7.359618 8.666986 9.236267 2.424783 3.621029 4.961912 2.474640 4.308739 0.000000 4.895339 4.216853 4.995957 4.996448 2.589520 7.929718 3.391179 3.838773 4.890779 5.456519 5.419039 6.817060 6.395035 6.363037 2.176826 1.084438 2.147260 3.366536 8.523682 8.543344 5.470076 5.403914 7.045984 6.994960 0.000000 2.907284 5.997345 6.525036 6.517605 4.528409 10.431832 3.864484 3.375307 7.102688 7.725088 7.685944 9.278511 8.790226 8.755735 3.420977 2.154132 1.083839 2.179564 11.013159 11.035264 7.576170 7.505658 9.413760 9.357095 2.521952 0.000000 1.2089302 0.1313644 0.1268711 1 -1613.78446989 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. There are 81 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 78 vectors produced by pass 0 Test12= 2.21D-14 1.23D-09 XBig12= 3.15D+02 8.22D+00. AX will form 78 AO Fock derivatives at one time. 78 vectors produced by pass 1 Test12= 2.21D-14 1.23D-09 XBig12= 4.15D+01 1.41D+00. 78 vectors produced by pass 2 Test12= 2.21D-14 1.23D-09 XBig12= 7.46D-01 1.22D-01. 78 vectors produced by pass 3 Test12= 2.21D-14 1.23D-09 XBig12= 8.40D-03 9.85D-03. 78 vectors produced by pass 4 Test12= 2.21D-14 1.23D-09 XBig12= 2.33D-05 7.03D-04. 72 vectors produced by pass 5 Test12= 2.21D-14 1.23D-09 XBig12= 2.97D-08 2.07D-05. 30 vectors produced by pass 6 Test12= 2.21D-14 1.23D-09 XBig12= 3.51D-11 5.73D-07. 3 vectors produced by pass 7 Test12= 2.21D-14 1.23D-09 XBig12= 3.28D-14 1.57D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 495 with 81 vectors. Isotropic polarizability for W= 0.000000 228.22 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT3035.800S 2019-06-11T17:43:50.000 -14.34479 -14.34191 -14.29630 -10.26983 -10.25373 -10.23583 -10.21482 -10.20441 -10.19913 -10.19663 -10.19650 -10.18763 -10.18756 -9.46699 -8.10462 -7.23072 -7.22136 -7.22107 -6.06929 -6.06916 -6.06794 -1.06925 -1.00810 -0.95664 -0.92069 -0.89860 -0.86378 -0.84375 -0.80273 -0.77447 -0.74878 -0.73784 -0.67283 -0.64007 -0.61683 -0.60958 -0.57364 -0.53152 -0.51661 -0.50980 -0.50498 -0.47857 -0.47189 -0.44254 -0.44146 -0.43295 -0.42193 -0.42179 -0.41693 -0.41226 -0.39381 -0.38393 -0.36080 -0.34397 -0.34328 -0.32641 -0.31847 -0.31566 -0.31401 -0.29666 -0.28099 -0.28073 -0.26833 -0.26460 -0.25526 -0.22784 -0.20696 -0.19806 -0.03982 -0.00677 -0.00140 0.00209 0.02943 0.08743 0.10178 0.11430 0.12129 0.12668 0.13062 0.14218 0.15530 0.17190 0.17550 0.17874 0.18897 0.20235 0.21430 0.22264 0.24750 0.25911 0.29045 0.30233 0.31490 0.31917 0.34209 0.34474 0.35457 0.36936 0.38186 0.40010 0.40675 0.42243 0.42379 0.44116 0.45083 0.49148 0.49584 0.52292 0.52694 0.53909 0.54613 0.55102 0.55662 0.56995 0.57495 0.58223 0.58686 0.59204 0.59412 0.60056 0.60661 0.62280 0.62501 0.63079 0.64123 0.64829 0.66062 0.67930 0.69886 0.71138 0.72564 0.73536 0.75955 0.76871 0.77860 0.78665 0.78701 0.79637 0.81452 0.81556 0.82057 0.83212 0.84191 0.85488 0.85723 0.85767 0.85842 0.87609 0.88351 0.88594 0.88739 0.89802 0.92031 0.92773 0.93080 0.95289 0.95591 0.96465 0.99081 0.99151 0.99985 1.00156 1.03158 1.03868 1.05185 1.05539 1.07885 1.08877 1.09719 1.11209 1.12239 1.15390 1.16378 1.18756 1.19807 1.19866 1.22138 1.24150 1.26526 1.28065 1.29297 1.30175 1.31696 1.34404 1.34561 1.38087 1.39228 1.40172 1.40816 1.41292 1.43689 1.44945 1.45832 1.49973 1.50932 1.53773 1.55911 1.56088 1.57405 1.58459 1.70910 1.73707 1.75184 1.75931 1.76886 1.78227 1.78348 1.80580 1.81540 1.83672 1.83958 1.84586 1.85660 1.86043 1.86402 1.88258 1.90054 1.91766 1.91904 1.93272 1.94999 1.95519 1.95876 1.96625 1.97563 2.02214 2.04266 2.05218 2.06218 2.07840 2.10532 2.11429 2.12607 2.14351 2.17500 2.18387 2.21592 2.21740 2.23071 2.24800 2.27329 2.28146 2.32404 2.32896 2.33586 2.34744 2.35186 2.39823 2.40666 2.40754 2.41404 2.45305 2.46842 2.47433 2.47639 2.48535 2.48795 2.49677 2.52065 2.52383 2.56345 2.56951 2.60031 2.61302 2.65991 2.67364 2.67536 2.69904 2.70917 2.71092 2.73875 2.74885 2.76560 2.76643 2.80052 2.85841 2.85884 2.91154 2.95795 2.98787 2.99695 3.02852 3.06729 3.19215 3.21910 3.25213 3.25815 3.27011 3.27708 3.28561 3.36118 3.50627 3.55289 3.69988 3.78571 3.80251 3.87710 3.97387 4.04868 4.08267 4.10375 4.13480 4.15727 4.15892 4.20102 4.23612 4.28501 4.31136 4.35990 4.43306 4.43798 4.68152 4.80550 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 Cl S O O N N N N C C C C C C C C C C H H H H H H H H -0.057809 1.107360 -0.620333 -0.621322 -0.701046 -0.670793 -0.409916 -0.309297 -0.179481 -0.106126 -0.105465 0.272791 -0.126883 -0.126811 0.447527 -0.073795 -0.058778 0.089706 0.283793 0.283740 0.114447 0.114139 0.101377 0.101545 0.116825 0.134607 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 Cl S O O N N N N C C C C C C C C C C -0.057809 1.107360 -0.620333 -0.621322 -0.701046 -0.103260 -0.409916 -0.309297 -0.179481 0.008321 0.008674 0.272791 -0.025505 -0.025267 0.447527 0.043030 0.075829 0.089706 -1.00000 358.757 -30.348 164.144 30.448 -4.016 161.752 373.185 -36.471 219.769 34.421 -7.912 215.307 -7.9926 -5.4104 -0.0013 0.0012 0.0016 9.0358 20.4747 28.3010 39.6082 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.9208 28.1292 39.5049 67.3437 101.7518 114.5063 162.1293 174.3261 246.3104 271.6201 289.3523 332.2678 337.4294 348.5420 360.1535 406.6823 415.0353 418.5643 426.4139 481.4485 498.9756 507.8676 559.8979 562.1844 579.7647 630.5019 648.0712 661.2450 708.0947 722.7315 740.2750 764.8501 829.1599 834.4987 845.5272 846.7404 938.7180 958.4329 965.3468 993.4742 1018.6281 1024.0057 1052.2293 1085.7522 1100.6631 1125.7734 1151.3844 1152.6613 1198.7324 1202.8176 1212.7498 1314.1624 1324.7469 1327.2960 1364.5533 1370.9565 1449.8661 1469.5700 1541.3870 1544.6868 1622.4878 1625.4946 1648.7696 1663.7521 3183.9757 3184.5228 3212.5011 3213.9399 3215.2748 3229.1029 3571.2128 3676.9160 4.4705 6.9712 7.7437 8.6794 10.1562 10.4453 5.8647 7.7619 13.0512 9.0064 6.3941 3.9754 7.5214 1.1505 7.6868 3.5643 6.3578 3.1578 8.3172 6.5885 3.6050 3.1439 4.9189 1.9152 5.5294 8.8291 6.9748 6.9933 9.0481 4.6932 5.8076 11.0816 1.2533 2.0861 3.3455 1.6287 10.3116 1.2521 1.3197 1.2807 4.8525 3.6263 8.0047 1.4432 3.3385 3.2403 1.2046 1.3192 14.8057 1.1995 6.1227 6.0248 3.0847 1.4811 2.8098 4.4253 5.7422 2.9094 2.5489 5.4940 6.4098 6.5696 2.5449 1.5338 1.0895 1.0892 1.0889 1.0923 1.0929 1.0981 1.0482 1.0995 0.0010 0.0032 0.0071 0.0232 0.0620 0.0807 0.0908 0.1390 0.4665 0.3915 0.3154 0.2586 0.5046 0.0823 0.5874 0.3473 0.6452 0.3260 0.8910 0.8998 0.5288 0.4778 0.9085 0.3566 1.0950 2.0679 1.7260 1.8016 2.6729 1.4444 1.8752 3.8195 0.5077 0.8559 1.4092 0.6880 5.3536 0.6777 0.7246 0.7447 2.9665 2.2404 5.2217 1.0024 2.3830 2.4196 0.9409 1.0327 12.5350 1.0225 5.3057 6.1305 3.1896 1.5373 3.0825 4.9005 7.1118 3.7020 3.5680 7.7236 9.9416 10.2273 4.0761 2.5015 6.5078 6.5080 6.6210 6.6478 6.6569 6.7463 7.8761 8.7582 5.5366 0.6606 5.2247 3.5669 0.3415 0.6067 6.8526 1.7573 2.7836 12.1085 0.1925 1.6944 13.8001 31.3769 44.2834 3.7050 0.0107 0.3247 109.6266 7.9161 28.9289 447.3328 16.2608 269.9151 178.6131 27.0434 0.1477 17.2012 188.6787 72.2147 1.0799 455.7720 0.8314 43.1370 34.5930 47.3915 370.7327 2.1606 0.3183 0.0237 108.1797 1.9133 424.2614 5.8429 38.3831 168.6885 36.4538 146.9802 315.8802 22.6701 21.5118 112.9976 170.1133 6.6802 266.9948 12.7236 1658.5079 4.9640 89.2726 40.5383 13.7695 127.3334 60.5827 294.7096 18.8456 27.2960 4.9156 11.8148 2.8222 6.6625 57.0983 30.6142 -0.00 0.07 0.09 0.00 -0.05 -0.06 -0.03 -0.04 -0.08 0.03 -0.07 -0.06 0.00 -0.05 -0.06 0.00 0.06 0.07 0.00 -0.04 -0.05 0.00 -0.01 -0.01 0.00 -0.02 -0.02 -0.13 -0.14 0.10 0.14 0.14 -0.11 0.00 0.04 0.05 -0.14 -0.11 0.14 0.14 0.16 -0.08 0.00 -0.03 -0.04 -0.00 -0.00 -0.00 -0.00 0.03 0.04 -0.00 0.03 0.03 0.09 0.20 0.06 -0.09 0.01 0.20 -0.24 -0.25 0.18 0.24 0.23 -0.20 -0.24 -0.21 0.24 0.25 0.28 -0.14 -0.00 -0.00 -0.00 -0.00 0.05 0.07 -0.01 0.14 0.16 -0.00 -0.04 -0.04 -0.09 -0.09 0.06 0.07 0.06 -0.05 0.00 -0.15 -0.18 0.01 0.10 0.10 0.00 -0.00 -0.00 -0.00 0.06 0.08 -0.00 -0.01 -0.00 0.02 0.11 -0.07 -0.02 -0.10 0.09 0.01 0.06 0.06 0.03 0.15 -0.04 -0.02 -0.06 0.13 0.00 -0.11 -0.14 -0.00 -0.18 -0.24 -0.00 -0.12 -0.16 -0.00 0.02 0.01 -0.00 0.02 0.14 0.03 0.17 0.03 0.03 0.17 -0.15 -0.04 -0.20 0.14 0.05 0.24 -0.09 -0.04 -0.13 0.20 0.00 -0.29 -0.37 -0.00 -0.16 -0.22 -0.02 0.14 -0.13 -0.04 -0.12 0.10 -0.03 -0.12 0.10 -0.04 -0.13 0.10 -0.06 -0.11 0.10 0.23 0.25 -0.20 0.02 -0.04 0.03 0.03 0.02 -0.03 -0.02 -0.10 0.08 0.01 -0.05 0.04 0.01 -0.05 0.04 0.13 0.12 -0.10 0.09 0.05 -0.04 0.08 0.06 -0.05 -0.05 -0.06 0.06 -0.12 -0.01 0.05 -0.12 0.05 -0.01 -0.04 0.06 -0.05 0.22 0.31 -0.25 0.22 0.31 -0.25 -0.01 -0.09 0.07 -0.01 -0.08 0.06 0.11 0.09 -0.08 0.11 0.10 -0.09 -0.18 -0.02 0.08 -0.17 0.09 -0.02 0.01 -0.04 -0.07 -0.00 -0.03 -0.04 0.10 0.04 -0.23 -0.10 -0.24 -0.02 -0.00 0.08 0.11 0.00 0.04 0.04 -0.01 0.25 0.33 -0.00 0.21 0.28 0.00 -0.02 -0.03 -0.03 -0.02 -0.01 0.03 0.00 -0.02 0.00 0.02 0.02 -0.04 -0.00 0.02 0.04 0.02 -0.00 -0.00 0.07 0.11 0.00 -0.11 -0.13 0.00 -0.15 -0.19 0.00 0.02 0.02 0.03 0.05 0.05 -0.02 0.04 0.06 -0.05 -0.03 -0.01 0.06 0.00 -0.03 -0.06 -0.01 0.03 0.07 0.04 -0.00 0.00 -0.23 -0.29 0.01 -0.31 -0.40 0.16 0.13 -0.11 -0.09 -0.02 0.01 -0.22 -0.05 0.04 -0.20 -0.01 0.01 0.10 -0.17 0.09 -0.21 -0.13 0.10 0.17 -0.13 0.12 0.20 -0.05 0.06 0.01 0.14 -0.12 -0.00 0.15 -0.12 0.00 0.14 -0.12 -0.09 0.02 -0.02 -0.04 0.10 -0.08 -0.04 0.09 -0.07 0.10 -0.16 0.13 0.03 -0.11 0.12 0.03 -0.02 0.06 0.12 -0.01 0.03 -0.20 -0.20 0.17 -0.20 -0.21 0.17 -0.00 0.16 -0.14 0.01 0.15 -0.13 -0.06 0.08 -0.06 -0.05 0.06 -0.05 -0.05 -0.13 0.14 -0.03 0.02 0.04 0.01 0.14 0.15 -0.01 0.06 0.09 0.06 0.16 -0.16 -0.09 -0.21 0.11 -0.00 0.20 0.29 -0.01 -0.08 -0.09 0.02 -0.16 -0.18 0.03 -0.18 -0.22 -0.00 0.09 0.09 0.05 0.04 0.09 -0.06 0.09 0.04 -0.01 -0.01 -0.03 0.05 -0.01 0.03 -0.06 0.04 -0.02 0.01 -0.03 -0.01 0.01 -0.14 -0.16 0.01 -0.17 -0.21 0.02 -0.12 -0.15 -0.06 -0.07 -0.13 0.03 -0.12 -0.09 0.10 0.04 0.13 -0.11 0.14 0.05 0.09 -0.06 0.02 -0.10 0.05 -0.06 -0.00 -0.17 -0.19 0.00 -0.23 -0.29 0.13 0.01 -0.01 -0.02 0.04 -0.04 -0.04 0.05 -0.06 0.01 0.05 -0.04 0.05 0.00 -0.02 0.04 0.20 -0.17 0.09 -0.01 0.02 0.10 -0.00 0.02 -0.10 -0.02 0.03 -0.16 -0.09 0.09 -0.18 -0.10 0.08 -0.12 -0.01 0.00 -0.18 -0.11 0.09 -0.19 -0.11 0.08 0.07 -0.02 0.01 0.09 -0.02 0.02 0.09 -0.01 0.02 0.11 -0.01 0.02 0.02 0.32 -0.27 0.04 0.32 -0.28 -0.18 -0.11 0.11 -0.20 -0.10 0.10 -0.17 -0.14 0.10 -0.20 -0.13 0.09 0.09 -0.02 0.02 0.08 -0.00 0.02 -0.01 -0.03 -0.03 0.00 -0.01 -0.01 -0.30 0.03 -0.16 0.31 -0.17 -0.00 -0.00 -0.09 -0.12 -0.01 -0.16 -0.16 -0.01 0.03 0.03 -0.01 0.06 0.07 0.00 0.14 0.18 0.09 0.08 0.16 -0.07 0.16 0.10 0.01 -0.02 -0.03 0.12 0.00 0.05 -0.08 0.07 -0.01 -0.00 -0.02 -0.03 -0.01 0.00 -0.00 -0.01 0.04 0.04 -0.01 0.05 0.06 -0.12 -0.17 -0.25 0.12 -0.26 -0.17 0.17 0.08 0.24 -0.15 0.24 0.11 0.20 -0.05 0.03 -0.17 0.07 -0.07 -0.01 -0.01 -0.02 -0.01 0.05 0.06 -0.11 0.22 -0.17 0.05 0.12 -0.09 0.13 0.15 -0.16 0.12 0.20 -0.10 0.03 0.06 -0.06 0.10 -0.00 0.00 -0.14 -0.21 0.15 -0.11 -0.25 0.20 0.05 0.04 -0.03 0.06 -0.02 0.01 0.05 -0.00 0.02 0.06 -0.05 0.04 0.03 -0.07 0.04 0.03 -0.05 0.06 -0.02 -0.15 0.11 -0.04 -0.18 0.13 -0.09 -0.22 0.18 -0.15 -0.23 0.18 0.09 0.04 -0.03 0.10 0.04 -0.04 0.08 -0.01 0.02 0.07 -0.01 0.01 0.01 -0.08 0.06 0.00 -0.07 0.06 -0.05 -0.19 0.13 -0.02 -0.26 0.22 0.02 0.03 -0.02 0.10 -0.06 0.05 0.33 -0.05 0.07 0.33 -0.07 0.05 -0.02 0.01 -0.00 -0.28 0.02 -0.01 -0.01 -0.03 0.02 -0.00 -0.04 0.03 -0.13 -0.12 0.08 -0.15 0.05 -0.00 -0.15 0.00 -0.05 -0.16 0.15 -0.12 -0.09 0.18 -0.11 -0.08 0.14 -0.16 -0.01 -0.02 0.02 0.01 -0.03 0.02 0.00 -0.05 0.04 0.00 -0.04 0.03 -0.26 -0.06 0.06 -0.28 -0.07 0.07 -0.20 0.05 -0.06 -0.20 0.06 -0.05 -0.01 0.21 -0.16 -0.00 0.20 -0.17 0.02 -0.03 0.02 0.01 -0.05 0.04 0.00 -0.05 -0.06 -0.00 0.01 0.02 0.19 0.04 -0.02 -0.19 -0.04 0.03 0.00 -0.02 -0.02 -0.00 -0.03 -0.04 0.01 -0.08 -0.11 -0.00 0.04 0.04 -0.00 0.04 0.05 0.02 0.04 0.05 -0.02 0.04 0.05 -0.00 0.02 0.02 0.02 0.01 0.05 -0.02 0.04 0.02 0.01 -0.13 -0.17 0.01 -0.18 -0.24 -0.01 0.16 0.20 -0.01 0.21 0.27 -0.06 -0.05 -0.08 0.06 -0.07 -0.06 0.03 0.04 0.06 -0.04 0.05 0.05 0.02 -0.00 0.05 -0.03 0.05 0.00 0.02 -0.35 -0.45 -0.01 0.27 0.34 -0.01 0.01 0.02 0.01 -0.04 -0.05 0.18 -0.06 0.02 -0.17 0.01 -0.06 0.01 -0.11 -0.13 -0.00 -0.08 -0.11 0.00 0.03 0.04 0.00 0.00 0.00 0.01 0.06 0.06 0.01 0.07 0.08 -0.01 0.07 0.07 -0.01 0.05 0.07 0.00 0.04 0.11 -0.02 0.09 0.07 0.00 -0.01 -0.00 -0.01 0.08 0.10 -0.00 -0.04 -0.06 0.00 -0.09 -0.12 -0.35 -0.39 -0.19 0.34 -0.06 -0.44 0.00 0.07 0.07 -0.00 0.07 0.07 -0.01 0.02 0.13 -0.01 0.11 0.06 -0.02 0.18 0.24 -0.00 -0.03 -0.05 0.18 0.03 -0.01 -0.12 0.01 -0.02 -0.06 0.04 -0.10 -0.10 0.11 -0.03 -0.11 0.07 -0.08 0.02 -0.14 0.08 -0.07 0.06 -0.04 -0.05 -0.02 0.02 -0.18 -0.22 0.18 -0.05 -0.14 0.09 -0.05 -0.11 0.13 0.15 0.09 -0.05 0.13 0.10 -0.09 0.13 0.13 -0.06 -0.08 0.06 -0.05 0.05 0.02 0.01 0.06 -0.08 0.05 0.05 -0.08 0.05 0.05 -0.19 0.14 0.02 -0.30 0.23 -0.04 -0.17 0.14 -0.04 -0.18 0.15 0.15 0.20 -0.14 0.15 0.20 -0.13 0.17 0.08 -0.02 0.08 -0.09 0.07 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.03 -0.01 0.00 -0.03 -0.00 -0.01 0.00 -0.03 -0.03 0.00 -0.03 -0.04 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.01 -0.01 0.01 0.02 -0.00 0.00 0.00 0.01 0.01 0.00 -0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 0.32 0.58 -0.18 -0.33 -0.32 0.53 0.03 0.04 0.00 -0.03 -0.00 0.04 0.04 0.04 -0.02 -0.05 -0.04 0.04 -0.01 0.03 0.05 -0.00 0.00 -0.00 -0.08 -0.09 0.07 -0.03 0.04 -0.04 0.07 0.11 -0.18 0.07 0.21 -0.06 0.05 -0.09 0.07 0.01 -0.05 0.04 0.16 -0.14 0.11 0.17 0.10 -0.07 -0.08 -0.09 0.07 -0.03 -0.07 0.03 -0.03 -0.05 0.05 0.06 0.04 -0.03 0.04 0.04 -0.04 0.05 0.05 -0.03 0.02 -0.19 0.14 -0.17 -0.10 0.07 -0.15 0.14 -0.11 0.01 0.18 -0.14 -0.00 -0.11 0.07 0.03 -0.07 0.04 -0.03 -0.08 0.06 -0.03 -0.09 0.06 0.05 0.07 -0.06 0.06 0.08 -0.06 -0.41 -0.20 0.14 -0.32 0.25 -0.20 0.00 0.00 0.01 -0.00 0.02 0.02 0.07 0.05 -0.03 -0.07 -0.04 0.04 0.00 -0.10 -0.13 -0.00 0.13 0.18 -0.00 -0.00 -0.00 -0.00 0.03 0.04 -0.00 0.06 0.09 0.07 0.01 0.08 -0.07 0.07 0.02 0.00 -0.10 -0.13 0.06 -0.10 -0.09 -0.05 -0.06 -0.13 0.00 -0.04 -0.06 -0.00 0.04 0.05 0.00 -0.01 -0.01 0.00 -0.04 -0.05 0.18 -0.04 0.44 -0.19 0.45 0.05 0.17 -0.01 0.18 -0.17 0.17 0.04 0.16 -0.21 -0.09 -0.14 -0.04 -0.23 -0.01 0.12 0.16 -0.00 0.03 0.04 -0.00 0.02 0.03 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.03 -0.00 0.01 0.01 -0.01 0.25 0.33 0.01 -0.20 -0.26 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.13 -0.17 -0.01 0.15 0.20 0.01 -0.13 -0.17 0.01 -0.01 0.03 -0.01 0.03 0.00 0.00 -0.02 0.03 -0.01 0.03 -0.01 0.02 -0.00 -0.02 -0.02 -0.02 -0.01 0.01 -0.20 -0.26 -0.02 0.41 0.54 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.10 -0.15 0.12 0.10 0.16 -0.12 0.00 -0.00 0.00 0.11 0.15 -0.11 -0.11 -0.15 0.12 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.04 0.01 0.03 0.02 -0.04 -0.22 -0.32 0.26 0.22 0.34 -0.25 0.20 0.30 -0.23 -0.20 -0.29 0.23 -0.01 -0.00 0.00 -0.01 -0.01 -0.02 0.28 -0.04 0.04 -0.08 -0.00 -0.00 0.13 0.01 0.01 0.14 -0.00 -0.01 -0.20 0.03 -0.03 0.08 0.00 -0.00 -0.12 -0.02 0.02 -0.07 0.06 -0.05 0.01 0.08 -0.06 0.08 0.12 -0.11 0.07 0.12 -0.06 -0.04 -0.12 0.09 -0.03 -0.08 0.04 -0.02 -0.03 0.05 -0.22 -0.05 0.03 -0.22 -0.08 0.05 -0.20 -0.00 -0.00 -0.01 0.03 -0.02 0.09 0.24 -0.16 0.07 0.20 -0.17 0.17 0.22 -0.18 0.14 0.19 -0.13 -0.03 -0.04 0.02 -0.02 0.00 0.00 -0.25 -0.09 0.05 -0.34 0.09 -0.07 0.00 0.01 0.01 -0.00 0.11 0.16 -0.01 0.23 -0.08 0.00 -0.12 0.20 0.01 -0.14 -0.17 0.00 -0.04 -0.06 -0.00 0.00 0.00 -0.01 0.07 0.09 0.00 -0.09 -0.11 -0.06 -0.07 -0.13 0.07 -0.10 -0.11 -0.01 0.05 0.08 -0.05 0.05 0.01 0.05 -0.00 0.06 0.01 -0.13 -0.17 0.00 0.03 0.03 0.00 0.02 0.02 0.00 -0.10 -0.13 -0.11 0.01 -0.18 0.11 -0.15 -0.05 -0.14 -0.06 -0.22 0.17 -0.16 -0.13 -0.15 0.16 0.01 0.16 -0.01 0.15 -0.01 0.26 0.33 -0.01 0.21 0.28 0.02 -0.01 0.01 -0.01 0.10 -0.07 0.01 0.02 0.18 0.02 -0.18 -0.06 -0.01 0.06 -0.05 0.01 0.01 -0.01 -0.01 -0.04 0.03 0.01 0.02 -0.01 0.03 0.12 -0.10 -0.05 -0.08 0.03 -0.04 -0.05 0.06 0.12 0.12 -0.09 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.04 0.02 -0.04 -0.04 0.03 -0.04 0.01 -0.01 -0.01 0.02 -0.02 -0.02 -0.39 0.24 -0.00 -0.33 0.30 -0.14 -0.25 0.19 -0.14 -0.26 0.19 -0.15 -0.17 0.14 -0.14 -0.17 0.13 -0.10 -0.06 0.06 -0.09 0.05 -0.02 -0.06 0.00 -0.01 -0.07 0.06 -0.05 0.03 0.01 0.13 0.04 -0.12 -0.04 0.00 0.05 -0.04 0.09 -0.12 0.09 0.05 -0.02 0.01 0.05 0.00 0.00 -0.13 -0.06 0.04 -0.02 0.00 -0.05 -0.02 0.04 0.01 -0.01 -0.08 0.06 0.00 0.00 -0.06 0.00 0.06 0.01 0.03 -0.02 0.01 0.06 -0.02 0.02 0.06 0.01 -0.00 0.03 0.01 -0.01 0.15 0.51 -0.29 0.14 0.39 -0.40 0.07 0.10 -0.10 0.08 0.12 -0.08 0.04 0.16 -0.14 0.04 0.18 -0.11 0.05 -0.02 0.02 0.05 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.05 -0.02 -0.08 0.02 0.03 0.06 -0.07 -0.01 0.16 0.22 -0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.01 0.14 0.19 0.01 0.02 0.01 0.00 0.02 0.03 -0.01 0.02 0.02 0.00 0.00 -0.02 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.18 -0.23 0.00 -0.03 -0.05 -0.00 0.05 0.07 0.01 -0.16 -0.21 0.02 0.04 -0.01 -0.01 0.04 -0.03 0.00 0.00 0.05 -0.03 0.01 0.04 0.01 -0.04 0.00 -0.04 -0.02 -0.01 -0.01 0.31 0.39 -0.02 0.39 0.52 0.02 -0.00 0.00 0.02 -0.02 0.02 0.00 -0.01 -0.04 -0.00 0.03 0.02 0.01 -0.03 0.01 -0.02 -0.12 0.09 -0.02 0.01 -0.01 -0.02 -0.01 -0.00 0.08 0.08 -0.07 -0.03 -0.02 0.03 -0.03 -0.04 0.01 0.03 0.10 -0.08 0.00 0.02 -0.01 0.00 0.02 -0.01 -0.00 0.02 -0.00 -0.02 0.02 -0.01 -0.02 -0.00 -0.00 -0.02 -0.00 0.01 0.07 0.52 -0.28 0.06 0.38 -0.42 -0.15 -0.18 0.15 -0.15 -0.19 0.13 -0.10 -0.16 0.12 -0.11 -0.16 0.13 -0.02 0.01 -0.03 -0.01 -0.02 -0.01 0.06 -0.01 0.01 0.17 0.08 -0.06 -0.14 0.02 0.08 -0.13 -0.07 -0.05 0.06 0.10 -0.07 -0.15 0.02 -0.02 -0.07 -0.06 0.04 -0.04 0.01 -0.00 0.10 -0.16 0.12 0.05 -0.01 0.11 0.05 -0.11 -0.02 -0.15 -0.02 0.01 0.07 0.07 0.06 0.07 -0.04 -0.08 0.02 -0.04 0.03 -0.09 -0.03 0.02 -0.10 0.03 -0.03 -0.06 0.02 -0.02 -0.12 0.34 -0.22 -0.13 0.28 -0.27 0.05 0.11 -0.05 0.06 0.08 -0.10 0.29 0.15 -0.09 0.29 0.13 -0.12 -0.21 -0.08 0.06 -0.15 0.06 -0.04 -0.01 0.02 -0.02 -0.04 -0.05 0.04 0.00 -0.03 -0.04 0.00 0.03 0.04 -0.04 0.11 -0.08 -0.04 0.01 -0.01 -0.26 -0.17 0.12 -0.19 0.22 -0.17 0.05 0.01 -0.01 0.03 0.02 0.01 0.03 -0.01 -0.02 -0.01 0.04 -0.03 0.01 -0.00 0.03 0.01 -0.03 -0.00 -0.05 -0.13 0.10 0.31 -0.23 0.19 0.35 0.15 -0.11 0.00 0.10 -0.08 -0.03 0.05 -0.03 -0.03 0.04 -0.04 -0.02 -0.03 0.04 -0.02 -0.04 0.02 -0.01 -0.11 0.09 -0.01 -0.11 0.08 0.18 -0.28 0.22 0.23 0.23 -0.17 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.02 -0.00 0.01 0.01 -0.00 0.05 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 -0.08 0.26 -0.24 -0.08 -0.26 -0.02 -0.26 -0.00 0.07 0.09 0.25 0.01 0.24 -0.25 0.22 0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.06 0.04 0.12 -0.06 0.10 0.07 0.19 -0.23 -0.15 -0.18 -0.09 -0.27 0.16 0.09 0.25 -0.16 0.22 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 0.08 -0.00 0.01 0.17 -0.01 0.01 -0.05 -0.03 -0.01 -0.05 0.00 0.03 0.19 -0.07 0.07 0.21 -0.06 0.05 -0.16 -0.09 0.06 -0.17 0.00 -0.01 -0.15 0.04 -0.03 -0.15 -0.03 -0.09 -0.15 0.07 0.04 0.09 -0.10 0.08 -0.10 -0.01 -0.15 -0.10 0.14 0.05 0.11 -0.02 0.02 -0.01 0.08 -0.06 -0.02 0.10 -0.08 -0.18 0.01 -0.01 0.18 -0.21 0.13 0.19 -0.17 0.17 -0.04 0.05 -0.11 -0.04 0.11 -0.02 -0.17 0.26 -0.23 -0.17 0.28 -0.20 -0.18 0.00 -0.01 0.06 0.06 -0.04 -0.05 -0.00 0.00 0.19 -0.07 0.06 -0.10 -0.10 -0.07 -0.10 0.03 0.11 -0.13 0.36 -0.28 0.11 -0.07 0.05 0.11 0.03 -0.02 0.17 0.01 -0.00 -0.09 -0.06 0.05 -0.04 0.08 -0.09 -0.04 0.11 -0.06 0.13 0.08 -0.06 -0.11 -0.05 -0.04 -0.11 0.02 0.06 -0.08 -0.01 0.01 -0.07 -0.16 0.12 -0.08 -0.09 0.07 0.16 0.02 -0.01 0.13 -0.05 0.05 0.13 -0.06 0.03 -0.05 0.07 -0.09 -0.05 0.10 -0.05 -0.30 -0.13 0.10 -0.30 -0.14 0.10 -0.02 -0.14 0.11 -0.27 0.02 -0.02 -0.03 0.00 -0.00 0.02 -0.03 0.02 -0.00 -0.02 -0.03 -0.00 0.02 0.03 -0.07 0.06 -0.05 0.03 0.03 -0.02 0.03 0.04 -0.03 0.04 0.03 -0.02 0.12 0.22 -0.17 -0.09 -0.12 0.08 -0.09 -0.11 0.10 -0.12 -0.21 0.16 0.06 0.09 -0.09 0.06 0.11 -0.07 -0.06 0.00 -0.00 -0.00 -0.08 0.06 -0.00 -0.05 0.04 0.08 0.01 -0.00 -0.01 -0.03 -0.02 -0.01 0.01 0.03 -0.10 -0.16 0.12 -0.10 -0.16 0.12 0.22 0.38 -0.30 0.22 0.38 -0.29 0.06 -0.05 0.04 -0.09 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.05 -0.07 0.00 -0.00 -0.00 0.01 -0.13 -0.17 -0.01 0.12 0.16 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.23 0.30 0.00 -0.08 -0.11 -0.01 0.15 0.19 0.01 -0.20 -0.26 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.46 -0.60 0.00 -0.04 -0.05 0.04 -0.01 0.01 -0.17 -0.09 0.07 0.03 -0.09 -0.05 0.03 0.02 0.10 0.10 0.36 -0.28 -0.05 0.04 -0.03 0.01 -0.23 0.18 0.15 -0.22 0.17 0.02 0.07 -0.05 0.03 -0.04 0.00 0.03 -0.01 0.04 -0.06 -0.04 0.03 0.05 0.01 -0.00 0.05 0.01 -0.01 0.14 -0.02 0.02 -0.01 0.26 -0.20 -0.04 0.22 -0.17 -0.21 -0.00 -0.01 -0.07 0.00 -0.02 -0.07 0.02 -0.00 -0.01 -0.13 0.10 -0.01 -0.12 0.10 0.06 -0.04 0.01 0.06 -0.02 0.03 -0.28 0.15 -0.13 0.23 0.06 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.04 -0.03 -0.03 -0.05 0.03 0.00 0.01 -0.00 0.04 0.06 -0.04 -0.04 -0.06 0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.03 -0.01 -0.02 -0.02 0.03 -0.17 -0.26 0.21 0.19 0.29 -0.21 -0.27 -0.39 0.31 0.28 0.42 -0.31 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.01 -0.01 0.06 -0.05 0.04 0.00 -0.01 0.01 0.01 -0.01 0.01 0.08 0.04 -0.03 -0.06 0.03 0.09 -0.06 -0.08 -0.05 0.07 0.10 -0.08 -0.06 -0.02 0.11 -0.05 -0.11 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.09 -0.05 0.06 0.09 -0.07 0.04 0.05 0.32 -0.22 0.03 0.28 -0.25 0.28 0.42 -0.24 0.26 0.31 -0.32 0.00 0.01 -0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.00 0.02 0.02 0.01 -0.00 -0.17 0.03 -0.02 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.05 0.07 -0.05 0.07 -0.17 -0.09 0.06 0.05 0.19 0.05 0.10 -0.08 -0.01 -0.16 -0.06 -0.01 0.02 0.17 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.15 0.14 -0.09 -0.15 0.11 -0.12 0.39 0.05 -0.15 0.37 0.14 0.00 0.18 0.23 -0.34 0.16 0.35 -0.11 -0.00 -0.02 0.00 -0.03 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.00 0.00 -0.00 0.00 -0.02 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.09 0.12 0.00 -0.08 -0.11 0.00 -0.06 -0.08 -0.00 0.03 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.40 0.53 -0.02 0.43 0.56 0.01 0.00 -0.00 -0.16 -0.02 0.01 0.04 -0.11 -0.03 0.04 0.00 0.11 0.49 0.15 -0.10 0.02 0.00 -0.00 0.05 0.12 -0.09 -0.23 0.21 -0.17 -0.05 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.02 -0.02 0.00 -0.00 0.02 0.04 0.07 0.03 -0.06 -0.05 0.27 0.02 -0.00 -0.06 -0.12 0.09 -0.21 -0.22 0.16 -0.00 -0.02 0.02 0.02 -0.04 0.03 0.02 -0.04 0.03 -0.06 -0.01 -0.01 -0.06 0.00 0.01 0.05 0.01 0.07 0.06 -0.06 -0.03 -0.18 -0.18 0.13 -0.39 -0.13 0.09 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.02 -0.04 -0.06 0.04 -0.04 -0.06 0.05 -0.00 -0.00 0.00 0.03 0.04 -0.03 0.03 0.04 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.23 0.36 -0.32 0.28 0.47 -0.32 -0.16 -0.24 0.19 -0.20 -0.30 0.22 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.07 0.06 0.04 0.06 -0.04 0.00 -0.00 -0.00 0.04 0.05 -0.04 -0.03 -0.04 0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 0.27 0.43 -0.37 -0.22 -0.39 0.27 -0.19 -0.30 0.23 0.16 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.07 0.09 0.00 -0.07 -0.09 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.42 -0.54 -0.02 0.43 0.56 0.02 -0.00 0.00 0.01 0.05 -0.04 0.01 -0.11 -0.04 0.00 0.01 0.11 -0.04 -0.03 0.02 0.00 -0.01 0.01 0.02 0.18 -0.14 -0.01 -0.15 0.12 -0.10 0.04 -0.03 0.02 -0.08 -0.09 0.01 0.07 0.10 -0.00 0.00 -0.00 0.03 0.10 0.15 0.04 -0.13 -0.13 0.03 -0.00 0.00 0.02 -0.15 0.11 0.06 0.14 -0.10 -0.12 -0.00 -0.00 0.01 0.03 -0.02 0.02 0.01 -0.02 -0.10 -0.09 -0.18 -0.12 0.16 0.13 -0.14 0.24 0.19 -0.12 -0.12 -0.27 -0.36 -0.31 0.23 -0.06 0.22 -0.17 -0.01 0.00 -0.00 0.03 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 0.01 0.00 -0.01 0.01 -0.03 -0.14 0.11 0.02 0.10 -0.07 -0.07 0.03 -0.02 0.02 -0.11 -0.12 0.02 0.09 0.13 -0.00 0.00 0.00 0.02 0.10 0.16 0.03 -0.13 -0.14 -0.04 -0.00 -0.00 -0.02 0.12 -0.09 -0.03 -0.09 0.07 0.10 0.00 0.00 0.01 0.04 -0.02 0.02 0.02 -0.03 -0.17 -0.13 -0.25 -0.19 0.22 0.19 -0.20 0.30 0.19 -0.18 -0.12 -0.34 0.28 0.24 -0.18 0.07 -0.15 0.12 -0.01 0.00 -0.00 0.01 0.19 -0.14 0.03 -0.34 -0.11 0.01 0.02 0.36 -0.09 -0.07 0.05 -0.00 0.00 -0.00 -0.04 -0.09 0.06 0.02 0.05 -0.03 -0.10 0.03 -0.03 -0.02 0.08 0.10 -0.02 -0.08 -0.10 -0.01 0.00 -0.00 0.03 -0.03 -0.02 0.03 0.02 0.04 -0.01 -0.02 0.02 -0.02 0.09 -0.07 0.01 -0.04 0.03 0.08 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.23 0.12 0.27 0.24 -0.23 -0.18 0.22 -0.21 -0.04 0.21 -0.01 0.22 0.13 0.16 -0.12 0.13 -0.11 0.09 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.05 0.07 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.04 0.04 -0.04 -0.01 -0.04 -0.00 -0.04 -0.00 0.06 0.08 -0.02 -0.03 -0.07 0.02 -0.06 -0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.43 0.18 -0.37 0.44 -0.39 0.09 0.29 -0.02 0.17 -0.29 0.17 0.01 -0.11 0.00 -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.09 -0.01 0.01 0.00 0.00 -0.00 -0.23 0.01 -0.01 0.04 -0.07 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.01 -0.01 0.03 -0.02 -0.04 0.08 -0.06 0.32 -0.07 0.06 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.00 0.02 -0.00 0.01 -0.11 -0.01 0.00 -0.66 0.46 -0.38 -0.00 0.00 -0.00 -0.05 0.05 -0.04 0.01 -0.06 -0.02 0.00 0.00 0.06 -0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.32 -0.13 0.10 0.01 -0.06 -0.07 0.01 0.05 0.07 -0.02 0.00 -0.01 -0.07 -0.02 -0.09 -0.07 0.08 0.04 0.00 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.03 -0.06 0.04 -0.00 -0.03 0.04 -0.42 -0.09 -0.41 -0.44 0.39 0.18 -0.16 0.06 -0.09 -0.14 0.10 -0.02 -0.04 -0.01 0.00 0.02 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.02 0.01 0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 0.03 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.04 0.03 -0.00 0.04 -0.01 0.03 -0.00 0.01 0.01 0.05 -0.03 0.01 -0.05 0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.23 0.10 -0.18 0.23 -0.20 0.06 -0.32 0.01 -0.22 0.31 -0.20 -0.02 0.40 -0.30 -0.05 -0.40 0.02 -0.31 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.02 -0.01 0.01 0.00 0.00 0.00 0.01 -0.01 0.01 0.02 -0.03 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.03 -0.02 0.07 -0.04 0.03 -0.06 -0.01 0.00 -0.10 0.04 -0.04 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.02 -0.00 -0.02 -0.01 0.01 0.00 0.02 -0.02 -0.00 0.00 0.00 0.00 0.76 0.24 -0.16 -0.47 0.23 -0.19 -0.00 -0.00 -0.00 -0.01 0.27 0.36 0.03 -0.46 -0.19 -0.01 -0.05 -0.49 0.00 -0.02 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.05 0.01 -0.02 0.05 -0.02 0.01 -0.00 0.00 0.00 0.02 -0.00 0.01 -0.03 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.15 0.04 -0.13 0.22 -0.18 -0.00 0.19 -0.14 -0.01 -0.27 0.02 -0.21 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.02 -0.02 -0.04 0.00 -0.03 -0.04 0.03 0.00 -0.01 0.00 -0.00 0.05 -0.03 0.01 0.05 -0.02 0.03 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.00 -0.34 -0.01 -0.27 -0.35 0.26 0.07 0.44 -0.33 -0.06 0.42 -0.02 0.34 -0.01 -0.01 0.00 0.02 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.07 -0.00 0.00 0.00 -0.00 0.00 -0.31 0.17 -0.14 0.37 0.10 -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.19 0.15 0.10 0.01 -0.00 -0.13 -0.01 0.00 -0.15 -0.06 0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.01 0.28 0.07 -0.05 0.49 -0.40 0.32 0.00 -0.01 0.00 -0.02 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.09 -0.04 0.04 0.03 -0.01 0.01 -0.19 -0.11 0.08 0.18 -0.07 0.06 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 0.01 -0.06 0.02 -0.02 -0.02 0.01 -0.00 -0.02 0.00 -0.01 -0.02 0.34 -0.26 -0.01 -0.13 0.10 -0.00 -0.11 0.08 -0.02 0.24 -0.19 0.05 -0.03 0.03 0.05 -0.04 0.02 0.07 -0.01 0.04 0.07 -0.05 0.00 0.04 -0.04 -0.01 0.04 0.00 0.04 -0.40 -0.31 0.23 0.28 -0.30 0.24 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.16 0.06 -0.05 -0.02 -0.01 0.01 0.02 -0.00 0.00 -0.01 0.00 -0.01 -0.05 0.07 0.05 -0.05 -0.03 -0.08 0.29 -0.11 0.09 0.08 -0.06 -0.00 0.08 -0.01 0.06 0.03 0.03 -0.03 0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.01 0.02 -0.02 -0.26 0.12 -0.16 -0.27 0.19 -0.09 -0.32 0.08 -0.16 -0.33 0.18 -0.04 -0.29 0.25 0.07 -0.29 -0.01 -0.28 -0.06 -0.04 0.03 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.11 0.14 0.02 -0.02 -0.01 -0.03 -0.00 -0.02 0.00 -0.01 -0.01 0.03 -0.05 -0.03 -0.03 -0.02 -0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.02 -0.03 0.04 -0.03 0.01 -0.41 -0.03 -0.36 0.41 -0.33 -0.11 -0.34 0.25 0.03 0.34 -0.03 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.17 -0.02 0.01 0.01 -0.00 0.00 -0.02 -0.03 0.02 0.08 0.09 -0.06 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.02 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.20 0.05 -0.03 0.15 0.05 -0.03 -0.03 -0.08 0.06 -0.12 -0.08 0.05 0.02 -0.00 0.01 0.03 -0.02 0.00 0.01 -0.01 -0.01 0.02 -0.00 0.01 0.03 -0.02 -0.01 0.03 0.00 0.03 -0.53 -0.24 0.16 -0.61 0.25 -0.21 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.04 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.13 0.17 -0.17 -0.01 -0.16 0.18 -0.15 -0.05 -0.01 0.18 0.23 0.12 -0.11 -0.03 -0.12 -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.31 -0.15 0.27 -0.31 0.29 -0.08 0.28 -0.00 0.20 -0.27 0.19 0.04 0.16 -0.13 -0.04 -0.15 -0.01 -0.14 -0.01 -0.01 0.01 -0.02 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.02 -0.00 0.00 0.01 -0.02 -0.22 0.00 -0.01 0.01 -0.00 0.00 -0.11 0.04 -0.04 -0.12 -0.10 0.07 0.01 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.44 -0.09 0.08 -0.03 -0.03 0.02 -0.13 -0.01 0.00 0.16 0.20 -0.15 0.02 0.00 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 0.03 -0.03 -0.01 0.03 -0.00 0.03 0.49 0.16 -0.11 0.37 -0.32 0.26 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.05 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.09 -0.11 -0.13 0.09 -0.00 0.13 -0.02 0.09 -0.00 -0.09 -0.11 0.18 -0.08 0.06 -0.18 0.07 -0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.18 0.09 -0.13 0.19 -0.15 0.05 0.11 0.11 0.21 -0.12 0.18 0.15 -0.36 0.36 0.16 0.35 0.07 0.40 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.13 -0.05 0.04 -0.11 -0.02 -0.12 -0.11 0.11 0.05 0.17 -0.07 0.05 -0.05 0.08 0.05 -0.05 -0.03 -0.09 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.10 0.04 -0.07 -0.10 0.08 -0.02 0.38 -0.02 0.28 0.38 -0.27 -0.04 0.36 -0.25 -0.00 0.37 -0.05 0.25 0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.06 0.02 -0.02 -0.00 0.00 -0.00 -0.04 0.08 -0.06 -0.04 -0.10 0.08 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.12 -0.21 0.15 0.06 0.17 -0.13 0.19 -0.23 0.18 -0.03 0.27 -0.21 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.00 0.01 0.02 -0.01 -0.00 0.02 -0.01 0.00 0.02 -0.00 0.01 -0.47 -0.03 0.01 -0.55 0.20 -0.17 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.21 -0.27 0.11 0.09 0.20 -0.11 0.17 0.13 -0.01 0.24 0.31 0.06 -0.16 -0.14 -0.06 -0.10 -0.19 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.21 -0.10 0.16 -0.22 0.19 -0.06 -0.28 0.09 -0.11 0.28 -0.13 0.07 -0.23 0.07 -0.11 0.23 -0.12 0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.10 -0.01 0.01 -0.12 -0.06 0.04 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.19 -0.02 0.01 0.48 0.05 -0.02 -0.41 0.06 -0.06 0.12 0.06 -0.05 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.36 -0.32 0.23 0.18 -0.33 0.26 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.07 -0.03 0.02 -0.14 0.03 -0.08 -0.14 0.08 -0.02 -0.10 0.03 -0.02 0.15 -0.09 0.02 0.15 -0.04 0.09 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.47 0.12 0.33 0.47 -0.28 -0.19 0.12 0.04 0.14 0.12 -0.13 -0.07 -0.16 0.16 0.07 -0.16 -0.03 -0.18 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.10 0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.01 0.06 -0.01 0.04 0.06 -0.04 0.01 0.08 -0.04 0.04 -0.07 0.04 -0.01 -0.07 0.02 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.54 0.21 0.36 0.54 -0.29 -0.28 -0.06 -0.02 -0.06 -0.06 0.05 0.03 0.06 -0.07 -0.03 0.06 0.02 0.08 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.06 0.02 -0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.09 -0.15 -0.11 -0.03 -0.02 -0.06 0.38 0.32 0.74 -0.17 0.27 0.21 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 0.02 0.00 -0.00 0.00 0.01 0.01 0.03 0.03 -0.05 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 0.08 0.06 -0.10 -0.08 -0.19 -0.16 -0.13 -0.31 -0.40 0.63 0.48 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 -0.05 0.04 0.02 0.03 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.38 0.60 -0.47 -0.31 -0.33 0.24 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.03 -0.02 -0.03 -0.03 -0.06 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.19 0.31 0.22 0.37 0.30 0.74 0.03 0.03 0.06 -0.09 0.15 0.11 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.06 -0.04 0.02 0.01 0.03 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.38 0.64 0.46 -0.17 -0.14 -0.34 0.09 0.08 0.18 0.06 -0.09 -0.07 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.03 0.03 -0.05 -0.05 0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.23 0.36 -0.28 0.52 0.54 -0.40 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.06 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.38 0.33 0.49 -0.37 -0.40 -0.45 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 -0.07 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.40 0.32 0.49 0.38 0.40 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 17 16 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 17 16 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 34.96885 31.97207 15.99491 15.99491 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 283.00565 0.99385 0.10743 -0.02697 -0.07117 0.80595 0.5877 0.08487 -0.58216 0.80863 asymmetric 1 0.05802 0.00630 0.00609 1.20893 0.13136 0.12687 466055.3 28.66 40.47 56.84 96.89 146.40 164.75 233.27 250.82 354.39 390.80 416.31 478.06 485.49 501.47 518.18 585.13 597.14 602.22 613.51 692.70 717.91 730.71 805.57 808.86 834.15 907.15 932.43 951.38 1018.79 1039.85 1065.09 1100.45 1192.98 1200.66 1216.53 1218.27 1350.61 1378.97 1388.92 1429.39 1465.58 1473.32 1513.92 1562.16 1583.61 1619.74 1656.59 1658.42 1724.71 1730.59 1744.88 1890.79 1906.02 1909.68 1963.29 1972.50 2086.03 2114.38 2217.71 2222.46 2334.40 2338.72 2372.21 2393.77 4581.03 4581.82 4622.07 4624.14 4626.06 4645.96 5138.18 5290.26 0.177511 0.193278 0.194222 0.131780 -1613.606959 -1613.591192 -1613.590247 -1613.652690 121.284 59.859 131.422 0.000 0.000 0.000 0.889 2.981 42.819 0.889 2.981 34.033 119.507 53.897 54.570 1 0.593 1.986 6.642 2 0.593 1.984 5.957 3 0.594 1.981 5.284 4 0.598 1.970 4.230 5 0.604 1.948 3.420 6 0.607 1.937 3.191 7 0.622 1.889 2.525 8 0.627 1.874 2.388 9 0.661 1.769 1.757 10 0.675 1.726 1.586 11 0.686 1.694 1.478 12 0.714 1.611 1.249 13 0.718 1.601 1.224 14 0.726 1.578 1.173 15 0.735 1.554 1.121 16 0.771 1.456 0.938 17 0.778 1.438 0.909 18 0.781 1.430 0.897 19 0.788 1.413 0.870 20 0.838 1.291 0.706 21 0.854 1.252 0.661 22 0.863 1.233 0.639 23 0.916 1.118 0.524 24 0.918 1.113 0.519 25 0.936 1.075 0.486 0.243004e-60 -60.614387 -139.569784 0.108386e+22 21.034974 48.434818 0.212383e-75 -75.672881 -174.243247 1 0.103984e+02 1.016967 2.341654 2 0.736123e+01 0.866950 1.996227 3 0.523760e+01 0.719133 1.655864 4 0.306362e+01 0.486235 1.119597 5 0.201625e+01 0.304545 0.701241 6 0.178690e+01 0.252101 0.580483 7 0.124612e+01 0.095559 0.220033 8 0.115438e+01 0.062348 0.143561 9 0.793757e+00 -0.100313 -0.230978 10 0.710924e+00 -0.148177 -0.341190 11 0.661134e+00 -0.179711 -0.413799 12 0.561550e+00 -0.250612 -0.577055 13 0.551184e+00 -0.258704 -0.595687 14 0.529846e+00 -0.275850 -0.635169 15 0.508871e+00 -0.293392 -0.675561 16 0.436114e+00 -0.360400 -0.829851 17 0.424670e+00 -0.371948 -0.856443 18 0.419963e+00 -0.376789 -0.867588 19 0.409754e+00 -0.387477 -0.892198 20 0.346950e+00 -0.459733 -1.058575 21 0.329680e+00 -0.481908 -1.109633 22 0.321347e+00 -0.493026 -1.135234 23 0.277618e+00 -0.556553 -1.281510 24 0.275873e+00 -0.559291 -1.287816 25 0.262896e+00 -0.580216 -1.335997 0.947285e+06 5.976480 13.761355 1 0.109104e+02 1.037842 2.389720 2 0.787819e+01 0.896426 2.064098 3 0.576141e+01 0.760529 1.751183 4 0.360415e+01 0.556803 1.282086 5 0.257732e+01 0.411169 0.946752 6 0.235554e+01 0.372090 0.856769 7 0.184269e+01 0.265452 0.611225 8 0.175801e+01 0.245021 0.564182 9 0.143811e+01 0.157792 0.363330 10 0.136915e+01 0.136449 0.314187 11 0.132891e+01 0.123497 0.284362 12 0.125189e+01 0.097566 0.224654 13 0.124418e+01 0.094883 0.218477 14 0.122852e+01 0.089381 0.205808 15 0.121341e+01 0.084007 0.193432 16 0.116347e+01 0.065756 0.151409 17 0.115601e+01 0.062960 0.144971 18 0.115297e+01 0.061818 0.142341 19 0.114645e+01 0.059355 0.136671 20 0.110858e+01 0.044768 0.103083 21 0.109891e+01 0.040961 0.094315 22 0.109436e+01 0.039160 0.090170 23 0.107190e+01 0.030155 0.069434 24 0.107106e+01 0.029812 0.068646 25 0.106490e+01 0.027310 0.062883 0.100000e+01 0.000000 0.000000 0.187131e+09 8.272147 19.047321 0.611431e+07 6.786347 15.626142 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.1754 -10.2837 7.2292 12.6253 -91.3429 -136.4076 -126.8708 -8.2423 6.6027 12.8119 26.8642 -18.2006 -8.6637 -8.2423 6.6027 12.8119 -54.8976 -190.3758 83.3209 -213.3718 -130.5714 95.3298 -188.3361 -59.9268 30.4205 37.0439 -6689.3299 -967.6549 -716.4582 -312.4113 162.3850 1.6953 153.5760 -195.0716 168.0438 -2027.3337 -1857.6119 -270.3739 249.6201 -122.9127 42.9145 0 -1613.7844699 1.909E-9 4.121E-6 0.1775111 0.1932783 19.9728933,-13.5316653,-6.441228,-6.1279208,4.9089712,9.5253245 C01 [X(C10H8Cl1N4O2S1)] 3.490027 -3.2534622 2.5357277 -1.3681071 0.0588301 -0.0876204 0.1333281 -0.156679 0.0156676 -0.1436417 0.0135793 -0.1574592 4.8929584 -0.1061647 0.1551922 1.1106459 2.6062715 -0.1545742 -0.7683062 -0.1954787 2.4656159 -1.3712525 0.0520849 -0.0113087 -0.3057332 -1.5882447 -0.0612971 0.1554722 -0.2119784 -0.79725 -1.3771221 0.0043648 -0.0458184 -0.2491036 -0.7926539 0.0064192 0.2486257 0.1738144 -1.5858581 -4.3454462 -0.2442921 0.062691 -0.7034055 -0.830351 0.0439591 0.4185907 0.0590859 -0.7737354 -1.5039184 0.4098319 -0.3390038 0.9295806 -0.844628 0.5342094 -0.7442242 0.5262529 -0.6035762 -1.1718032 -0.4485055 0.3166904 0.9564957 -0.1783147 -0.0932267 -0.7662687 -0.1406801 -0.2664862 -0.2900991 0.5766926 -0.4425636 -0.1963959 -0.271117 0.0025302 0.1505812 0.0288458 -0.2761006 -0.6096557 0.1791332 -0.1375797 0.2702414 -0.495825 -0.0000203 -0.2127792 -0.0012802 -0.4993856 0.1808715 -0.0696631 0.1764299 0.0172071 0.0278535 0.0817315 0.3189202 0.0301204 0.1877135 0.1884009 -0.1881753 0.0269346 -0.3012131 0.1470442 0.0565471 -0.0915558 0.108591 0.0643749 1.7812284 -0.6576634 0.5384345 -0.7671138 0.4544928 -0.3442284 0.6214394 -0.3416201 0.3052598 -0.55799 0.1114556 -0.1212998 0.4073529 -0.2662332 0.2643458 0.2500534 0.0125865 0.0392421 -0.5461887 0.131685 -0.086689 -0.1545438 -0.0437305 0.0632942 -0.4617011 0.3135837 -0.1940167 3.3872967 0.2560338 -0.0894863 -0.46885 0.1103744 0.1716527 0.4695927 0.1968706 0.222504 -0.7386415 -0.0486616 0.0146081 -0.3673043 0.0153835 -0.0904943 0.2573433 -0.0794459 -0.0156576 0.0487476 0.0368058 -0.024502 -0.132267 0.1217958 -0.1339309 0.1045508 -0.1285104 0.0549625 1.7882513 -0.2758334 0.2685414 0.0152829 0.0366577 0.0733805 0.0452154 0.0637117 0.0850387 0.1476917 0.0513648 -0.0384222 -0.1791699 0.3958779 -0.1037705 0.0671929 -0.1185939 0.1783846 0.1498822 0.0511082 -0.0396184 -0.1070174 0.2418206 -0.1581098 0.1576137 -0.1390403 0.3350056 0.1164448 0.0514785 0.0506074 0.0428924 0.0325728 -0.0837707 0.067595 -0.0687936 0.0768046 0.1165325 -0.0340649 -0.0591772 -0.0537712 0.1089731 -0.0515611 -0.0573402 -0.0645733 0.0023603 -0.0043965 -0.0111982 -0.1249878 0.008039 0.0859941 -0.0687223 -0.1286693 -0.0708507 -0.046742 -0.0063316 0.1181635 0.0395938 0.1285024 -0.0033594 -0.0912922 0.0216517 -0.0887977 0.0462198 0.0558339 0.0689477 -0.0546421 0.0490606 0.0258687 0.0693201 -0.0398778 0.0703132 0.0591024 0.0368126 -0.0737581 0.0529959 -0.0827404 0.0601556 0.051941 0.0599256 0.0522876 0.0936788 358.757139|-30.3483573|164.1443625|30.4477825|-4.0158292|161.7521282 -0.000000551 -0.000011626 -0.000003795 -0.000001265 -0.000001942 -0.000002319 -0.000003582 -0.000001164 -0.000005181 -0.000000548 -0.000005084 -0.000002098 -0.000000023 -0.000002096 -0.000000607 0.000001281 0.000009284 0.000004176 -0.000001374 -0.000006668 -0.000003550 -0.000001275 -0.000008789 -0.000004202 -0.000000541 0.000001288 -0.000000388 -0.000001711 0.000004556 -0.000001141 0.000001206 0.000000781 0.000001831 0.000000602 0.000006684 0.000002627 -0.000001156 0.000007178 0.000000308 0.000001830 0.000003377 0.000003369 -0.000000345 -0.000004239 -0.000001434 0.000000970 -0.000004067 0.000000219 0.000000849 -0.000006295 -0.000000475 -0.000000372 -0.000008679 -0.000002761 0.000002240 0.000008733 0.000005333 0.000000195 0.000011356 0.000003250 -0.000003122 0.000004962 -0.000002941 0.000002088 -0.000001750 0.000002386 -0.000002050 0.000009673 -0.000000256 0.000003158 0.000002948 0.000005094 0.000001818 -0.000002163 0.000001913 0.000001678 -0.000006258 0.000000643 275.6505999999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;1;5;6;7;8;3;4;2;19;20;21;22;23;24;25;26/rA:26nCl0S0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.4044,.5989,-.498;2.3619,1.1761,-.6994;2.29,2.5702,-.1762;2.3415,1.0551,-2.1847;1.3637,.1371,.059;7.6094,-1.0655,1.1262;-.5637,1.2196,-.8403;-1.9025,1.2851,-.9372;3.9413,.5208,-.1643;4.5493,1.0116,.9943;4.5749,-.4784,-.9084;6.4189,-.5124,.6779;5.7735,.5026,1.4131;5.7991,-.9907,-.4946;.0196,.2536,-.0788;-.7921,-.6974,.6209;-2.1536,-.6186,.513;-2.6521,.4191,-.2995;8.1759,-1.5199,.4225;8.1615,-.4838,1.742;4.0676,1.8026,1.5591;4.1138,-.844,-1.8196;6.2421,.8906,2.3133;6.2883,-1.7646,-1.0797;-.3099,-1.4602,1.2224;-2.8191,-1.3087,1.0185;