Gaussian 16 GINC-EXP-3-17 APOTLURI1 Title Card Required ES64L-G16RevC.01 18-Aug-2025 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 37 37 (5D, 7F) 6-311+G(d,p) RM062X 6-311+G(d,p) FOpt # opt freq 6-311+g(d,p) nosymm m062x 386.18109999999984 1 1 AuxInfo=1/0/N:32,15,31,12,27,23,1,2,26,29,21,3,18,10,4,19,8,28,34,11,5,20,9,25/CRV:1.3,3.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.3,15.3,16.3,17.3,23.1/rA:37nC3C3C3C3NHHC3O1C3NCHHCHHC3C3NCHC3HSC3C3CC3HC3C3HBrHHH/rB:s1;s2;s3;s1s4;s5;s1;s4;s8;s3;s10;s11;s12;s12;s2s12;s15;s15;s10;s8s18;s19;s20;s21;s21;s20;s21;s23;s26;s18s25s26;s27;s27;s28;s29s31;s31;s29;s32;s11;s23;/rC:-4.1659,-2.3158,1.3605;-2.7874,-2.4406,1.283;-2.2921,-1.1304,1.2169;-3.3456,-.2488,1.2299;-4.484,-.9868,1.3276;-5.4191,-.6037,1.3681;-4.9372,-3.0662,1.4322;-3.1361,1.1549,.9968;-3.9725,2.0224,.9424;-.9038,-.7573,1.043;-.0673,-1.7818,1.1094;-.4521,-3.1123,1.6329;.3252,-3.8097,1.3264;-.446,-3.0481,2.7254;-1.8279,-3.5833,1.1503;-1.7745,-3.8975,.1037;-2.1227,-4.4515,1.7407;-.5765,.6054,.8085;-1.6522,1.5091,.7603;-1.5022,2.8005,.5219;-.1941,3.4036,.2522;-.2852,4.4852,.2959;.3168,2.8368,-1.0555;-2.347,3.3676,.5582;.9665,2.7736,1.5218;.8799,1.637,-.8788;1.49,.7639,-1.867;.8358,1.1777,.5791;2.3592,-.166,-1.4402;1.2929,.9167,-2.9208;1.9978,.2937,.935;2.7123,-.3102,-.0217;2.2625,.1874,1.9827;3.2335,-1.3191,-2.6464;3.5753,-.917,.2272;.9197,-1.6059,.9644;.1517,3.3318,-2.0037; g16 Output=A2Cation_Cyclopropane_TS3_IntD.log nprocshared=32 mem=64GB # opt freq 6-311+g(d,p) nosymm m062x 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-55/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-55/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/18=20,19=15,26=3/3(-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 Title Card Required 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 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 2 2 3 3 4 4 5 8 8 10 10 11 11 12 12 12 15 15 18 18 19 20 20 21 21 21 23 23 25 26 26 27 27 28 29 29 31 31 32 2 5 7 3 15 4 10 5 8 6 9 19 11 18 12 36 13 14 15 16 17 19 28 20 21 24 22 23 25 26 37 28 27 28 29 30 31 32 34 32 33 35 1.3863 1.367 1.0784 1.4023 1.498 1.3737 1.448 1.3602 1.4383 1.0114 1.2062 1.5438 1.3242 1.4209 1.4806 1.013 1.0884 1.0944 1.5321 1.0941 1.0906 1.4058 1.5411 1.3217 1.4656 1.0181 1.0863 1.514 1.8319 1.3371 1.0823 1.8581 1.4529 1.5292 1.3425 1.083 1.5028 1.4689 1.8839 1.338 1.0858 1.084 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 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 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 5 1 1 3 2 2 4 3 3 5 1 1 4 4 4 9 3 3 11 10 10 12 11 11 11 13 13 14 2 2 2 12 12 16 10 10 19 8 8 18 19 19 21 20 20 20 22 22 23 21 21 26 21 23 23 27 26 26 29 18 18 18 25 25 26 27 27 32 28 28 32 29 29 31 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 8 8 8 10 10 10 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 23 23 23 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 31 31 31 32 32 32 5 7 7 3 15 15 4 10 10 5 8 8 4 6 6 9 19 19 11 18 18 12 36 36 13 14 15 14 15 15 12 16 17 16 17 17 19 28 28 18 20 20 21 24 24 22 23 25 23 25 25 26 37 37 28 27 28 28 29 30 30 25 26 31 26 31 31 32 34 34 32 33 33 31 35 35 108.5116 130.7094 120.7786 105.6532 135.28 118.8323 109.1616 125.8075 124.8235 107.1194 120.871 131.5297 109.5423 125.6181 124.8396 127.4629 112.8749 119.6392 113.5948 119.1902 127.2087 123.2821 118.292 117.3763 106.8965 107.3814 113.4674 108.3408 110.8336 109.7263 108.2281 109.5782 112.7148 110.2304 108.4805 107.601 116.4859 126.2885 117.2163 125.6426 111.1543 123.1946 122.4512 116.3353 121.1957 109.1158 107.8183 107.2449 115.8335 111.5751 104.841 111.3393 122.2804 126.1829 84.2125 128.7727 112.5405 118.6858 118.1594 120.0418 121.6596 107.9366 106.2543 117.057 102.9277 109.3101 112.3435 122.0478 121.3955 116.5269 120.6024 118.33 121.0318 121.1823 117.9079 120.9087 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|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 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 5 5 7 7 2 2 7 7 1 1 15 15 1 1 1 3 3 3 2 2 10 10 2 2 4 4 3 3 8 8 3 3 5 5 4 4 9 9 3 3 18 18 3 3 11 11 10 10 10 36 36 36 11 11 11 13 13 13 14 14 14 10 10 28 28 10 10 10 19 19 19 8 8 18 18 19 19 19 24 24 24 20 20 22 22 25 25 20 22 23 21 21 37 37 21 21 21 23 23 28 28 23 23 23 27 27 27 26 26 30 30 18 18 25 25 26 26 27 27 34 34 28 28 33 33 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 23 23 23 23 25 25 25 26 26 26 26 26 26 26 26 26 26 27 27 27 27 28 28 28 28 28 28 29 29 29 29 31 31 31 31 2 2 2 2 5 5 5 5 3 3 3 3 15 15 15 15 15 15 4 4 4 4 10 10 10 10 5 5 5 5 8 8 8 8 19 19 19 19 11 11 11 11 18 18 18 18 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 19 19 19 19 28 28 28 28 28 28 20 20 20 20 21 21 21 21 21 21 23 23 23 23 23 23 25 25 25 26 26 26 26 28 28 28 27 27 27 27 28 28 28 28 28 28 29 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 32 32 3 15 3 15 4 6 4 6 4 10 4 10 12 16 17 12 16 17 5 8 5 8 11 18 11 18 1 6 1 6 9 19 9 19 18 20 18 20 12 36 12 36 19 28 19 28 13 14 15 13 14 15 2 16 17 2 16 17 2 16 17 8 20 8 20 25 26 31 25 26 31 21 24 21 24 22 23 25 22 23 25 26 37 26 37 26 37 28 28 28 27 28 27 28 18 26 31 29 30 29 30 18 25 31 18 25 31 32 34 32 34 32 33 32 33 32 33 31 35 31 35 29 35 29 35 0.6209 -173.486 -179.6335 6.2597 0.0388 179.9662 -179.7368 0.1906 -1.0597 -176.0153 174.2098 -0.7458 -159.3368 80.4291 -39.36 27.1431 -93.0909 147.12 1.095 -171.8292 176.1118 3.1876 -7.8476 171.2982 177.9593 -2.895 -0.7007 179.3712 171.18 -8.7481 177.6386 -0.593 6.6863 -171.5452 -2.3776 178.6622 179.2374 0.2772 -14.1728 177.8655 166.7636 -1.1981 -0.0858 -178.9449 178.9312 0.0722 165.1689 -78.7474 42.6832 -26.7667 89.317 -149.2524 -45.3553 74.4702 -167.9516 -165.635 -45.8095 71.7687 74.7532 -165.4213 -47.8431 2.6715 -178.4874 -178.3627 0.4784 -138.4481 111.7166 -14.6942 42.7002 -67.135 166.4542 -179.4785 2.0403 1.5313 -176.9499 -168.1363 65.2922 -47.1332 10.2724 -116.2991 131.2756 -81.6327 93.5535 155.8344 -28.9794 32.4032 -152.4106 72.0371 -168.5255 -42.4011 -179.8293 0.5378 5.2135 -174.4193 -70.3287 41.7669 161.3526 158.7576 -17.0262 -21.6289 162.5873 80.8972 -32.4344 -149.8968 -98.7765 147.8919 30.4295 -0.6114 -178.5556 175.1005 -2.8436 104.861 -77.2928 -132.087 45.7592 -18.4889 159.3573 13.2675 -166.3449 -168.6938 11.6938 -2.0583 177.5425 -179.8459 -0.2451 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|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|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 37 1.00e+00 60 F Berny optimization. local minimum Step number 2 out of a maximum of 222 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00678 0.00768 0.00972 0.01090 0.01289 0.01311 0.01372 0.01458 0.01472 0.01517 0.01566 0.01599 0.01633 0.01783 0.01919 0.01957 0.01966 0.02050 0.02076 0.02133 0.02169 0.02175 0.02217 0.02333 0.02575 0.02887 0.03811 0.04374 0.05224 0.05495 0.05670 0.06078 0.06362 0.07231 0.08695 0.08808 0.09239 0.09579 0.11249 0.11693 0.12870 0.14448 0.15670 0.15913 0.15946 0.15989 0.15995 0.16000 0.16000 0.16010 0.19068 0.19230 0.19784 0.20553 0.21673 0.21738 0.22427 0.22839 0.23244 0.23728 0.24354 0.24610 0.24846 0.24933 0.24983 0.25375 0.27029 0.27724 0.28193 0.28539 0.29593 0.31266 0.31634 0.32479 0.34243 0.34341 0.34699 0.34738 0.34981 0.35009 0.35248 0.35282 0.35397 0.35522 0.35704 0.35779 0.36185 0.36938 0.38028 0.39789 0.40344 0.41854 0.42728 0.44659 0.45386 0.45742 0.47764 0.49920 0.51654 0.52136 0.54114 0.55945 0.58004 0.58843 1.01453 -3.44182966e-08 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 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 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 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 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 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 2.61973 2.58317 2.03794 2.64988 2.83084 2.59600 2.73634 2.57032 2.71797 1.91127 2.27940 2.91739 2.50235 2.68513 2.79801 1.91424 2.05680 2.06817 2.89527 2.06759 2.06092 2.65657 2.91208 2.49766 2.76947 1.92392 2.05273 2.86104 3.46177 2.52672 2.04522 3.51135 2.74566 2.88985 2.53695 2.04664 2.83998 2.77593 3.56007 2.52850 2.05194 2.04840 1.89387 2.28131 2.10799 1.84400 2.36109 2.07401 1.90524 2.19575 2.17858 1.86956 2.10960 2.29564 1.91190 2.19244 2.17885 2.22465 1.97005 2.08808 1.98260 2.08024 2.22024 2.15162 2.06454 2.04865 1.86576 1.87411 1.98035 1.89089 1.93446 1.91506 1.88890 1.91253 1.96724 1.92389 1.89332 1.87802 2.03311 2.20405 2.04587 2.19285 1.94004 2.15014 2.13715 2.03045 2.11526 1.90443 1.88180 1.87180 2.02168 1.94734 1.82981 1.94324 2.13420 2.20232 1.46980 2.24744 1.96421 2.07152 2.06225 2.09515 2.12333 1.88374 1.85462 2.04289 1.79638 1.90791 1.96084 2.13018 2.11866 2.03382 2.10491 2.06525 2.11240 2.11507 2.05788 2.11022 0.01078 -3.02811 -3.13521 0.10909 0.00062 3.14106 -3.13709 0.00335 -0.01834 -3.07202 3.04081 -0.01287 -2.78084 1.40387 -0.68690 0.47369 -1.62479 2.56763 0.01892 -2.99919 3.07367 0.05556 -0.13700 2.99005 3.10579 -0.05034 -0.01208 3.13066 2.98782 -0.15263 3.10045 -0.01060 0.11676 -2.99429 -0.04095 3.11904 3.12853 0.00534 -0.24753 3.10450 2.91000 -0.02115 -0.00142 -3.12387 3.12345 0.00099 2.88310 -1.37404 0.74523 -0.46714 1.55890 -2.60502 -0.79174 1.29962 -2.93141 -2.89112 -0.79976 1.25239 1.30444 -2.88738 -0.83523 0.04617 -3.11593 -3.11277 0.00831 -2.41548 1.95075 -0.25565 0.74537 -1.17158 2.90520 -3.13285 0.03552 0.02662 -3.08820 -2.93438 1.13971 -0.82249 0.17916 -2.02994 2.29105 -1.42482 1.63302 2.71976 -0.50559 0.56550 -2.65984 1.25729 -2.94132 -0.74005 -3.13826 0.00946 0.09107 -3.04440 -1.22752 0.72900 2.81627 2.77052 -0.29714 -0.37752 2.83800 1.41177 -0.56615 -2.61637 -1.72438 2.58088 0.53067 -0.01029 -3.11582 3.05611 -0.04942 1.83089 -1.34851 -2.30481 0.79897 -0.32211 2.78167 0.23132 -2.90348 -2.94467 0.20371 -0.03621 3.09839 -3.13896 -0.00436 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -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 -0.00001 -0.00000 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 -0.00001 0.00001 -0.00000 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 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -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 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 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 -0.00001 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 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00002 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 -0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00000 -0.00002 0.00004 0.00006 0.00002 0.00004 -0.00001 0.00001 -0.00004 -0.00002 0.00001 -0.00005 0.00004 -0.00002 0.00003 0.00003 0.00002 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00006 0.00002 -0.00000 0.00007 0.00007 0.00006 0.00001 0.00001 0.00000 -0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00002 0.00000 0.00000 -0.00000 0.00003 0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00001 -0.00002 0.00000 -0.00000 0.00002 -0.00001 -0.00000 -0.00001 -0.00003 -0.00002 -0.00003 0.00003 0.00004 0.00000 0.00002 0.00005 0.00004 0.00004 0.00002 0.00004 0.00003 -0.00002 -0.00002 -0.00003 -0.00003 -0.00002 -0.00002 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00002 0.00001 0.00004 -0.00000 -0.00001 -0.00000 0.00001 -0.00002 0.00000 0.00001 0.00000 0.00003 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00005 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00004 -0.00001 0.00004 -0.00003 0.00002 0.00002 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00002 0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00002 0.00003 -0.00001 0.00002 -0.00002 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00004 0.00001 -0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00000 -0.00002 -0.00003 -0.00001 0.00004 -0.00000 0.00001 -0.00001 0.00000 0.00004 0.00003 -0.00002 -0.00004 -0.00002 0.00000 -0.00002 0.00002 0.00003 -0.00002 0.00000 0.00001 -0.00001 -0.00000 0.00008 -0.00007 0.00004 -0.00011 -0.00000 -0.00000 0.00004 0.00003 -0.00014 -0.00008 -0.00002 0.00004 0.00010 0.00010 0.00008 -0.00007 -0.00007 -0.00008 0.00014 0.00001 0.00009 -0.00005 0.00014 -0.00011 0.00021 -0.00005 -0.00009 -0.00008 0.00007 0.00007 -0.00013 0.00016 -0.00030 -0.00001 -0.00021 -0.00028 0.00006 -0.00002 -0.00029 -0.00032 -0.00000 -0.00003 0.00001 0.00011 -0.00028 -0.00019 0.00026 0.00027 0.00027 0.00029 0.00030 0.00030 -0.00006 -0.00004 -0.00004 -0.00005 -0.00004 -0.00003 -0.00005 -0.00004 -0.00004 0.00012 0.00020 0.00004 0.00012 -0.00016 -0.00016 -0.00019 -0.00006 -0.00006 -0.00010 -0.00004 0.00001 -0.00011 -0.00007 0.00005 0.00004 0.00003 0.00000 -0.00001 -0.00002 -0.00001 0.00009 -0.00003 0.00006 0.00001 0.00010 0.00001 0.00000 -0.00003 0.00016 0.00003 0.00007 -0.00007 0.00001 0.00004 -0.00001 -0.00012 -0.00011 0.00002 0.00003 -0.00004 -0.00005 0.00002 -0.00015 -0.00016 -0.00010 0.00011 0.00007 0.00010 0.00006 0.00010 0.00020 0.00010 0.00019 0.00004 0.00013 -0.00018 -0.00022 -0.00014 -0.00018 0.00010 0.00014 -0.00000 0.00004 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00001 0.00004 -0.00000 -0.00002 0.00000 0.00001 -0.00002 0.00000 0.00001 0.00000 0.00003 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00005 -0.00001 -0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00002 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00002 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00004 -0.00001 0.00005 -0.00003 0.00001 0.00002 0.00001 0.00000 -0.00002 -0.00000 0.00001 0.00000 -0.00002 0.00002 -0.00000 0.00000 -0.00000 0.00001 -0.00002 0.00002 -0.00001 0.00002 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00004 0.00001 -0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00000 -0.00002 -0.00003 -0.00001 0.00004 -0.00000 0.00001 -0.00001 -0.00000 0.00005 0.00002 -0.00002 -0.00004 -0.00001 0.00000 -0.00003 0.00002 0.00003 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00008 -0.00008 0.00004 -0.00012 -0.00000 -0.00000 0.00003 0.00003 -0.00013 -0.00008 0.00000 0.00005 0.00011 0.00011 0.00009 -0.00007 -0.00007 -0.00009 0.00012 -0.00001 0.00008 -0.00005 0.00014 -0.00009 0.00019 -0.00004 -0.00007 -0.00008 0.00008 0.00007 -0.00013 0.00014 -0.00030 -0.00003 -0.00017 -0.00022 0.00008 0.00002 -0.00030 -0.00030 -0.00005 -0.00005 0.00002 0.00006 -0.00025 -0.00021 0.00029 0.00029 0.00029 0.00029 0.00030 0.00029 -0.00007 -0.00005 -0.00005 -0.00007 -0.00005 -0.00005 -0.00007 -0.00006 -0.00005 0.00009 0.00015 0.00005 0.00012 -0.00009 -0.00009 -0.00013 -0.00006 -0.00005 -0.00009 -0.00007 0.00000 -0.00012 -0.00005 0.00006 0.00005 0.00004 -0.00001 -0.00002 -0.00003 -0.00001 0.00010 -0.00003 0.00008 0.00001 0.00012 0.00001 0.00000 -0.00003 0.00019 0.00003 0.00007 -0.00008 0.00000 0.00005 0.00001 -0.00014 -0.00011 0.00002 0.00005 -0.00005 -0.00005 0.00001 -0.00018 -0.00019 -0.00013 0.00014 0.00011 0.00010 0.00007 0.00016 0.00024 0.00014 0.00022 0.00008 0.00016 -0.00020 -0.00024 -0.00017 -0.00021 0.00008 0.00012 -0.00001 0.00003 2.61973 2.58316 2.03794 2.64989 2.83083 2.59600 2.73636 2.57032 2.71797 1.91128 2.27939 2.91737 2.50236 2.68517 2.79801 1.91422 2.05680 2.06818 2.89525 2.06759 2.06092 2.65657 2.91211 2.49765 2.76946 1.92392 2.05273 2.86104 3.46177 2.52671 2.04521 3.51140 2.74566 2.88984 2.53694 2.04665 2.83998 2.77592 3.56009 2.52850 2.05195 2.04841 1.89387 2.28131 2.10799 1.84401 2.36108 2.07403 1.90522 2.19576 2.17859 1.86958 2.10961 2.29564 1.91189 2.19245 2.17884 2.22465 1.97005 2.08809 1.98256 2.08023 2.22029 2.15159 2.06455 2.04867 1.86577 1.87412 1.98033 1.89089 1.93447 1.91506 1.88888 1.91255 1.96724 1.92389 1.89332 1.87802 2.03310 2.20407 2.04587 2.19287 1.94003 2.15014 2.13716 2.03045 2.11526 1.90442 1.88183 1.87180 2.02167 1.94731 1.82981 1.94325 2.13421 2.20232 1.46978 2.24741 1.96420 2.07156 2.06225 2.09516 2.12332 1.88374 1.85467 2.04291 1.79636 1.90787 1.96083 2.13018 2.11864 2.03384 2.10494 2.06522 2.11240 2.11508 2.05787 2.11021 0.01086 -3.02819 -3.13517 0.10897 0.00061 3.14106 -3.13706 0.00338 -0.01847 -3.07210 3.04081 -0.01283 -2.78073 1.40398 -0.68681 0.47362 -1.62486 2.56754 0.01904 -2.99920 3.07375 0.05551 -0.13686 2.98996 3.10598 -0.05038 -0.01215 3.13058 2.98790 -0.15256 3.10032 -0.01047 0.11646 -2.99433 -0.04112 3.11882 3.12861 0.00537 -0.24782 3.10420 2.90996 -0.02121 -0.00140 -3.12382 3.12320 0.00078 2.88339 -1.37375 0.74552 -0.46685 1.55920 -2.60472 -0.79181 1.29957 -2.93146 -2.89119 -0.79981 1.25234 1.30437 -2.88744 -0.83528 0.04626 -3.11578 -3.11272 0.00843 -2.41558 1.95066 -0.25578 0.74531 -1.17163 2.90511 -3.13291 0.03552 0.02649 -3.08825 -2.93432 1.13976 -0.82245 0.17915 -2.02996 2.29102 -1.42483 1.63312 2.71973 -0.50551 0.56551 -2.65972 1.25730 -2.94132 -0.74008 -3.13808 0.00949 0.09114 -3.04448 -1.22752 0.72905 2.81628 2.77038 -0.29725 -0.37751 2.83806 1.41172 -0.56621 -2.61636 -1.72456 2.58070 0.53054 -0.01015 -3.11571 3.05621 -0.04935 1.83105 -1.34828 -2.30467 0.79919 -0.32203 2.78183 0.23113 -2.90371 -2.94485 0.20350 -0.03613 3.09850 -3.13896 -0.00433 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000003 0.001371 0.000186 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.720905e-08 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 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 2 2 3 3 4 4 5 8 8 10 10 11 11 12 12 12 15 15 18 18 19 20 20 21 21 21 23 23 25 26 26 27 27 28 29 29 31 31 32 2 5 7 3 15 4 10 5 8 6 9 19 11 18 12 36 13 14 15 16 17 19 28 20 21 24 22 23 25 26 37 28 27 28 29 30 31 32 34 32 33 35 1.3863 1.367 1.0784 1.4023 1.498 1.3737 1.448 1.3602 1.4383 1.0114 1.2062 1.5438 1.3242 1.4209 1.4806 1.013 1.0884 1.0944 1.5321 1.0941 1.0906 1.4058 1.541 1.3217 1.4655 1.0181 1.0863 1.514 1.8319 1.3371 1.0823 1.8581 1.4529 1.5292 1.3425 1.083 1.5029 1.469 1.8839 1.338 1.0858 1.084 -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 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 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 5 1 1 3 2 2 4 3 3 5 1 1 4 4 4 9 3 3 11 10 10 12 11 11 11 13 13 14 2 2 2 12 12 16 10 10 19 8 8 18 19 19 21 20 20 20 22 22 23 21 21 26 21 23 23 27 26 26 29 18 18 18 25 25 26 27 27 32 28 28 32 29 29 31 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 8 8 8 10 10 10 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 23 23 23 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 31 31 31 32 32 32 5 7 7 3 15 15 4 10 10 5 8 8 4 6 6 9 19 19 11 18 18 12 36 36 13 14 15 14 15 15 12 16 17 16 17 17 19 28 28 18 20 20 21 24 24 22 23 25 23 25 25 26 37 37 28 27 28 28 29 30 30 25 26 31 26 31 31 32 34 34 32 33 33 31 35 35 108.511 130.7096 120.779 105.6534 135.2807 118.8321 109.1623 125.8073 124.8237 107.1181 120.8714 131.5306 109.5435 125.6178 124.8386 127.4633 112.8758 119.6384 113.5945 119.1888 127.2105 123.2787 118.2892 117.3792 106.9003 107.3786 113.4656 108.3402 110.8366 109.7246 108.2261 109.5796 112.7148 110.2308 108.4792 107.6025 116.4886 126.2829 117.2199 125.6411 111.1563 123.1938 122.4499 116.3364 121.1955 109.1156 107.8189 107.246 115.8336 111.5741 104.8406 111.3395 122.2806 126.1837 84.2131 128.7689 112.5408 118.6893 118.1582 120.0434 121.658 107.9304 106.2618 117.0491 102.9252 109.3149 112.3481 122.0502 121.3905 116.5292 120.6026 118.3299 121.0313 121.1844 117.9078 120.9067 -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|-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 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 5 5 7 7 2 2 7 7 1 1 15 15 1 1 1 3 3 3 2 2 10 10 2 2 4 4 3 3 8 8 3 3 5 5 4 4 9 9 3 3 18 18 3 3 11 11 10 10 10 36 36 36 11 11 11 13 13 13 14 14 14 10 10 28 28 10 10 10 19 19 19 8 8 18 18 19 19 19 24 24 24 20 20 22 22 25 25 20 22 23 21 21 37 37 21 21 21 23 23 28 28 23 23 23 27 27 27 26 26 30 30 18 18 25 25 26 26 27 27 34 34 28 28 33 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 23 23 23 23 25 25 25 26 26 26 26 26 26 26 26 26 26 27 27 27 27 28 28 28 28 28 28 29 29 29 29 31 31 31 2 2 2 2 5 5 5 5 3 3 3 3 15 15 15 15 15 15 4 4 4 4 10 10 10 10 5 5 5 5 8 8 8 8 19 19 19 19 11 11 11 11 18 18 18 18 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 19 19 19 19 28 28 28 28 28 28 20 20 20 20 21 21 21 21 21 21 23 23 23 23 23 23 25 25 25 26 26 26 26 28 28 28 27 27 27 27 28 28 28 28 28 28 29 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 32 3 15 3 15 4 6 4 6 4 10 4 10 12 16 17 12 16 17 5 8 5 8 11 18 11 18 1 6 1 6 9 19 9 19 18 20 18 20 12 36 12 36 19 28 19 28 13 14 15 13 14 15 2 16 17 2 16 17 2 16 17 8 20 8 20 25 26 31 25 26 31 21 24 21 24 22 23 25 22 23 25 26 37 26 37 26 37 28 28 28 27 28 27 28 18 26 31 29 30 29 30 18 25 31 18 25 31 32 34 32 34 32 33 32 33 32 33 31 35 31 35 29 35 29 0.6174 -173.4978 -179.6345 6.2503 0.0355 179.9694 -179.7422 0.1917 -1.0508 -176.0139 174.2255 -0.7376 -159.3301 80.4358 -39.3563 27.1406 -93.0935 147.1145 1.084 -171.8408 176.1081 3.1833 -7.8497 171.3173 177.9485 -2.8844 -0.6919 179.3736 171.1894 -8.7451 177.6425 -0.6076 6.6896 -171.5604 -2.3463 178.7081 179.2518 0.3061 -14.1822 177.8749 166.7309 -1.2121 -0.0812 -178.9847 178.9604 0.0569 165.1896 -78.7268 42.6985 -26.7652 89.3184 -149.2564 -45.3634 74.4628 -167.9577 -165.649 -45.8228 71.7567 74.7392 -165.4346 -47.8551 2.6452 -178.5298 -178.3487 0.4762 -138.3971 111.7699 -14.6477 42.7065 -67.1265 166.4559 -179.499 2.0354 1.5249 -176.9407 -168.1275 65.3006 -47.1251 10.2649 -116.307 131.2674 -81.6363 93.565 155.8306 -28.9681 32.4009 -152.3978 72.0373 -168.5255 -42.4019 -179.8092 0.5418 5.2178 -174.4311 -70.3317 41.7686 161.3605 158.7392 -17.0247 -21.6304 162.6056 80.8882 -32.4383 -149.907 -98.7998 147.8737 30.405 -0.5897 -178.5235 175.1023 -2.8316 104.9025 -77.2641 -132.0558 45.7776 -18.4553 159.378 13.2539 -166.3569 -168.7174 11.6718 -2.0746 177.5245 -179.849 -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|-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|-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 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 0 0 0 0 0 0 0 0 0 386.18109999999984 AuxInfo=1/0/N:32,15,31,12,27,23,1,2,26,29,21,3,18,10,4,19,8,28,34,11,5,20,9,25/CRV:1.3,3.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.3,15.3,16.3,17.3,23.1/rA:37nC3C3C3C3NHHC3O1C3NCHHCHHC3C3NCHC3HSC3C3CC3HC3C3HBrHHH/rB:s1;s2;s3;s1s4;s5;s1;s4;s8;s3;s10;s11;s12;s12;s2s12;s15;s15;s10;s8s18;s19;s20;s21;s21;s20;s21;s23;s26;s18s25s26;s27;s27;s28;s29s31;s31;s29;s32;s11;s23;/rC:-4.1659,-2.3158,1.3605;-2.7874,-2.4406,1.283;-2.2921,-1.1304,1.2169;-3.3456,-.2488,1.2299;-4.484,-.9867,1.3276;-5.4191,-.6037,1.3681;-4.9372,-3.0662,1.4322;-3.1361,1.1549,.9968;-3.9725,2.0224,.9424;-.9038,-.7573,1.043;-.0673,-1.7818,1.1094;-.4521,-3.1123,1.6329;.3252,-3.8097,1.3264;-.446,-3.0481,2.7254;-1.8279,-3.5833,1.1503;-1.7745,-3.8976,.1037;-2.1227,-4.4515,1.7407;-.5765,.6053,.8085;-1.6522,1.5091,.7604;-1.5022,2.8005,.5218;-.194,3.4036,.2522;-.2852,4.4852,.2959;.3168,2.8368,-1.0555;-2.347,3.3676,.5582;.9665,2.7736,1.5218;.8798,1.637,-.8788;1.49,.7639,-1.867;.8358,1.1777,.5791;2.3592,-.166,-1.4402;1.2929,.9167,-2.9208;1.9978,.2937,.935;2.7123,-.3102,-.0217;2.2625,.1874,1.9827;3.2335,-1.3191,-2.6464;3.5753,-.917,.2272;.9197,-1.6059,.9643;.1517,3.3318,-2.0037; 0.000000 1.386307 0.000000 2.221983 1.402262 0.000000 2.227663 2.262324 1.373747 0.000000 1.366965 2.234675 2.199374 1.360155 0.000000 2.121741 3.210463 3.174692 2.108236 1.011380 0.000000 1.078430 2.243892 3.284847 3.242165 2.130807 2.510000 0.000000 3.638489 3.623671 2.446118 1.438288 2.552013 2.905613 4.609865 0.000000 4.362596 4.630173 3.583191 2.373638 3.076524 3.028265 5.202319 1.206227 0.000000 3.629228 2.537527 1.448019 2.501164 3.598788 4.529628 4.663747 2.939764 4.141739 0.000000 4.140858 2.804113 2.320611 3.620930 4.492892 5.485998 5.046703 4.249023 5.454328 1.324195 0.000000 3.808015 2.455056 2.736106 4.090682 4.568002 5.570816 4.489782 5.081077 6.263748 2.469347 1.480645 0.000000 4.733234 3.400748 3.747122 5.115061 5.576493 6.578574 5.315736 6.061104 7.254735 3.302678 2.076944 1.088402 0.000000 4.029573 2.816411 3.059592 4.298816 4.744272 5.705209 4.673731 5.281107 6.428449 2.878793 2.087622 1.094403 1.769738 0.000000 2.667794 1.498016 2.497283 3.664440 3.718600 4.671413 3.164589 4.917848 6.005489 2.975106 2.519226 1.532124 2.172137 2.162644 0.000000 3.130582 2.130624 3.027267 4.129162 4.160775 5.072623 3.529712 5.308392 6.370286 3.391372 2.898695 2.168826 2.431382 3.059416 1.094109 0.000000 2.979988 2.166807 3.366393 4.406637 4.213105 5.080379 3.152039 5.745595 6.780108 3.952122 3.427896 2.143832 2.564386 2.398067 1.090564 1.762957 0.000000 4.660655 3.793533 2.474402 2.928270 4.251149 5.022513 5.734492 2.624705 3.682192 1.420908 2.459289 3.809948 4.535851 4.127797 4.384868 4.712546 5.369463 0.000000 4.616185 4.142718 2.754084 2.485630 3.817070 4.361537 5.672379 1.543826 2.383326 2.403528 3.669292 4.853755 5.702692 5.107292 5.110318 5.447798 6.058988 1.405800 0.000000 5.828792 5.449729 4.069222 3.632818 4.887014 5.257987 6.858937 2.367073 2.623808 3.645229 4.837457 6.107173 6.905154 6.338494 6.422835 6.716578 7.379782 2.399516 1.321703 0.000000 7.050956 6.476321 5.088180 4.922223 6.231785 6.678709 8.108508 3.777161 4.081752 4.294486 5.257288 6.665558 7.311322 6.914054 7.231343 7.471745 8.224224 2.878559 2.444075 1.465556 0.000000 7.902330 7.429773 6.034101 5.713928 6.973952 7.307766 8.941756 4.439570 4.480998 5.331483 6.323273 7.715993 8.380893 7.916935 8.258893 8.516158 9.237294 3.924373 3.307754 2.090572 1.086260 0.000000 7.244387 6.554037 5.263895 5.306314 6.583758 7.114162 8.284806 4.354662 4.801300 4.337207 5.115251 6.573455 7.060437 7.036233 7.119160 7.146253 8.178582 3.041716 2.989460 2.407908 1.514008 2.214832 0.000000 6.021036 5.869727 4.546256 3.811376 4.911079 5.085754 6.990416 2.389758 2.144608 4.396882 5.658274 6.836194 7.696996 7.033538 6.995267 7.301790 7.911117 3.290436 1.994310 1.018083 2.174858 2.359833 3.159286 0.000000 7.229819 6.429387 5.094372 5.273927 6.624623 7.225382 8.304501 4.441582 5.029288 4.024294 4.689399 6.055454 6.617359 6.110271 6.953879 7.350431 7.860864 2.755204 3.006077 2.663730 1.831882 2.449328 2.658722 3.501510 0.000000 6.789660 5.894852 4.702321 5.085019 6.365777 7.053124 7.829367 4.458523 5.197167 3.550739 4.066760 5.535231 5.902334 6.057902 6.220981 6.216315 7.276501 2.456132 3.019038 2.998291 2.356539 3.293786 1.337079 3.933457 2.657542 0.000000 7.203478 6.203767 5.234713 5.830828 6.996984 7.750562 8.176925 5.454771 6.270141 4.063485 4.214783 5.571822 5.698406 6.274414 6.245765 6.022384 7.298416 3.384335 4.163095 4.336726 3.780855 4.655836 2.516338 5.232823 3.974539 1.452936 0.000000 6.150817 5.168685 3.939246 4.465668 5.791786 6.551310 7.215651 3.993871 4.895381 2.643061 3.139355 4.601448 5.068890 4.909850 5.485288 5.726972 6.464527 1.541052 2.516493 2.846540 2.474251 3.503689 2.386188 3.863364 1.858122 1.529219 2.565648 0.000000 7.419058 6.251141 5.442805 6.299225 7.427159 8.281282 8.360528 6.154815 7.110241 4.142783 3.872878 5.101734 5.006746 5.790248 5.993301 5.778857 6.969284 3.777556 4.872321 5.249738 4.703736 5.624915 3.651890 6.215071 4.399361 2.398831 1.342502 2.864254 0.000000 7.653638 6.752237 5.844975 6.332692 7.419240 8.109147 8.580607 5.917855 6.623586 4.831137 5.037368 6.325681 6.427623 7.114972 6.823731 6.460177 7.887599 4.183301 4.751420 4.818043 4.296978 5.056828 2.849444 5.599931 4.826185 2.204388 1.082971 3.539330 2.121638 0.000000 6.706888 5.522313 4.528859 5.378932 6.618681 7.483559 7.722051 5.206043 6.215534 3.087972 2.933061 4.253216 4.448434 4.510517 5.450963 5.699822 6.335983 2.596207 3.851033 4.324915 3.865494 4.815495 3.640808 5.335514 2.749173 2.518800 2.886166 1.502835 2.446102 3.968933 0.000000 7.296769 6.040493 5.220187 6.186095 7.352837 8.254532 8.259759 6.114552 7.145390 3.795967 3.342338 4.539014 4.445427 5.001656 5.718352 5.745965 6.605573 3.513358 4.792740 5.266288 4.723788 5.664023 4.087926 6.281574 3.865225 2.807900 2.460270 2.469047 1.468935 3.453279 1.338034 0.000000 6.926647 5.735692 4.802852 5.675165 6.879147 7.746682 7.919892 5.572565 6.582134 3.435274 3.173115 4.287162 4.490091 4.284370 5.625154 6.042795 6.388151 3.100552 4.308841 4.809921 4.401487 5.273202 4.476134 5.778383 2.929215 3.493050 3.968497 2.233003 3.442443 5.051387 1.085831 2.113603 0.000000 8.473522 7.276637 6.744836 7.710760 8.686938 9.565366 9.297732 7.743770 8.716186 5.571745 5.021533 5.925493 5.517614 6.736729 6.720043 6.268288 7.599198 5.491490 6.593583 7.031080 6.515698 7.397831 5.320757 7.960920 6.266088 4.171684 2.826041 4.731532 1.883909 2.973250 4.117567 2.859855 4.963948 0.000000 7.947826 6.627252 5.954092 7.024987 8.134346 9.071909 8.861915 7.066019 8.131479 4.555579 3.846436 4.797431 4.487634 5.191610 6.095525 6.125298 6.873924 4.460186 5.787702 6.299840 5.733812 6.640166 5.133695 7.317143 4.701354 3.874534 3.399948 3.466548 2.196193 4.299055 2.110766 1.083960 2.454597 2.921612 0.000000 5.150182 3.813252 3.256563 4.483799 5.451104 6.430217 6.054262 4.906397 6.090840 2.012771 1.013007 2.144272 2.311090 2.654419 3.390214 3.640191 4.237480 2.674420 4.044716 5.047530 5.181009 6.244977 4.917437 5.964165 4.415108 3.730362 3.735976 2.811432 3.150768 4.647324 2.184427 2.421682 2.460959 4.298084 2.840840 0.000000 7.864831 7.263697 6.021267 5.958886 7.158025 7.608655 8.867737 4.954970 5.234809 5.207447 5.990670 7.423982 7.881671 7.963922 7.853959 7.772715 8.931589 3.984038 3.770446 3.065327 2.283364 2.609409 1.082276 3.578831 3.661256 2.160491 2.898923 3.432029 4.174308 2.824227 4.612373 4.873306 5.498517 5.616207 5.894937 5.812064 0.000000 0.2733702 0.1463610 0.1094877 -57.25815 -19.77139 -14.95644 -14.94625 -14.94312 -10.79211 -10.77983 -10.76453 -10.75309 -10.73621 -10.72607 -10.72536 -10.72330 -10.72184 -10.70575 -10.69154 -10.69100 -10.69096 -10.69066 -10.68921 -10.68651 -10.67948 -10.67604 -9.12061 -8.38339 -6.94883 -6.93822 -6.93776 -6.30417 -6.30289 -6.29752 -2.98041 -2.97677 -2.97631 -2.96691 -2.96691 -1.33234 -1.25715 -1.23837 -1.22992 -1.12202 -1.08405 -1.06536 -1.05967 -1.02037 -1.00049 -0.99371 -0.98153 -0.93861 -0.92389 -0.91135 -0.88522 -0.87661 -0.85821 -0.81653 -0.81112 -0.78740 -0.78319 -0.76857 -0.76257 -0.72930 -0.71790 -0.70365 -0.70034 -0.69408 -0.68023 -0.67200 -0.66782 -0.65919 -0.65539 -0.64875 -0.64197 -0.63654 -0.62390 -0.61987 -0.60861 -0.60022 -0.59443 -0.57514 -0.56826 -0.56222 -0.55856 -0.54736 -0.53710 -0.52871 -0.50992 -0.49322 -0.47519 -0.45792 -0.45587 -0.45357 -0.42997 -0.41798 -0.40367 -0.38369 -0.21923 -0.16337 -0.11589 -0.10616 -0.10081 -0.09285 -0.08729 -0.08565 -0.07982 -0.07879 -0.07536 -0.07144 -0.06310 -0.06127 -0.05946 -0.05410 -0.05014 -0.04662 -0.04356 -0.03944 -0.03678 -0.03364 -0.03070 -0.02700 -0.02239 -0.02048 -0.01622 -0.01143 -0.00902 -0.00655 -0.00164 -0.00124 0.00809 0.00935 0.01344 0.01411 0.01701 0.02040 0.02504 0.02740 0.03243 0.03432 0.03860 0.04113 0.04289 0.04623 0.04802 0.05091 0.05684 0.05880 0.06032 0.06260 0.06382 0.06839 0.07236 0.07591 0.07729 0.08054 0.08346 0.08583 0.08779 0.09178 0.09336 0.09678 0.09828 0.10339 0.10562 0.10802 0.10995 0.11168 0.11212 0.11648 0.11970 0.12050 0.12336 0.12492 0.12827 0.12961 0.13664 0.13936 0.14150 0.14390 0.14863 0.15008 0.15062 0.15470 0.15487 0.15696 0.16033 0.16455 0.16704 0.16915 0.17362 0.17447 0.17793 0.18014 0.18462 0.18574 0.18816 0.19106 0.19396 0.19576 0.20033 0.20330 0.20507 0.20869 0.21306 0.21593 0.21879 0.22504 0.23038 0.23280 0.23672 0.23968 0.24354 0.24650 0.24686 0.25720 0.26083 0.26645 0.26889 0.27424 0.27603 0.28562 0.29142 0.29731 0.29990 0.30448 0.31486 0.32276 0.32559 0.33638 0.34242 0.34880 0.36009 0.36192 0.37379 0.37657 0.38232 0.38712 0.39324 0.40558 0.41300 0.41951 0.43212 0.43968 0.44645 0.45036 0.45671 0.46231 0.47368 0.47780 0.48497 0.48872 0.50219 0.50650 0.51312 0.51994 0.52687 0.52962 0.53563 0.53919 0.54079 0.54663 0.55062 0.55727 0.55930 0.56457 0.56790 0.57325 0.58109 0.58491 0.58910 0.59314 0.59953 0.60424 0.60600 0.61017 0.61642 0.62221 0.62423 0.62932 0.63393 0.63994 0.64098 0.64503 0.65168 0.65509 0.66083 0.66588 0.66890 0.67292 0.67638 0.68229 0.68548 0.68765 0.69648 0.71178 0.71743 0.72131 0.72642 0.72947 0.73731 0.74885 0.75801 0.76167 0.76847 0.77617 0.77661 0.78134 0.79115 0.79738 0.80767 0.81130 0.81546 0.81845 0.82067 0.83490 0.83895 0.84073 0.85036 0.86092 0.86808 0.87128 0.87234 0.88315 0.89262 0.89677 0.90058 0.90807 0.91779 0.92436 0.93011 0.93951 0.95714 0.95935 0.96437 0.97382 0.98037 0.99445 1.00989 1.01539 1.01942 1.02763 1.03347 1.03771 1.04413 1.04846 1.06460 1.06965 1.07394 1.08361 1.09516 1.09764 1.10718 1.11689 1.13859 1.15015 1.15765 1.16705 1.17249 1.17867 1.19530 1.20090 1.23288 1.24561 1.25345 1.27358 1.28264 1.29765 1.31590 1.32987 1.35275 1.36502 1.36713 1.37989 1.40360 1.41649 1.42250 1.43693 1.44325 1.44575 1.46033 1.46384 1.46869 1.47206 1.48150 1.48585 1.49545 1.50673 1.51821 1.52104 1.52781 1.53424 1.54021 1.54591 1.55287 1.56078 1.57253 1.57849 1.58671 1.59181 1.60403 1.60565 1.61503 1.62291 1.63478 1.63489 1.63958 1.65234 1.65845 1.67522 1.68246 1.69000 1.70425 1.70623 1.71602 1.71673 1.73473 1.74607 1.75766 1.76069 1.76774 1.77857 1.78754 1.79595 1.80202 1.80401 1.80959 1.82033 1.83023 1.83486 1.84425 1.85964 1.86573 1.87800 1.88715 1.89013 1.90141 1.91297 1.92183 1.93459 1.93937 1.95439 1.95767 1.96912 1.98201 1.98697 1.99086 2.01096 2.01550 2.03067 2.03854 2.04779 2.05131 2.06871 2.07432 2.08002 2.08834 2.10670 2.11889 2.13547 2.15088 2.16490 2.16821 2.17951 2.19472 2.22225 2.22534 2.25169 2.26536 2.27715 2.29320 2.30701 2.31820 2.32937 2.33517 2.34750 2.36758 2.38189 2.39419 2.41100 2.42069 2.43160 2.44111 2.44562 2.45926 2.47936 2.49853 2.51818 2.52902 2.55097 2.56878 2.58810 2.59290 2.60291 2.62546 2.63447 2.65015 2.66330 2.66675 2.68436 2.68552 2.70279 2.70732 2.71658 2.72488 2.73237 2.74024 2.75146 2.75864 2.76299 2.77938 2.79311 2.79825 2.80895 2.81172 2.82349 2.83415 2.83575 2.86586 2.87006 2.87685 2.89008 2.89766 2.90983 2.91295 2.91692 2.94717 2.94995 2.95882 2.97944 2.98955 3.02048 3.02761 3.03986 3.04510 3.08524 3.10879 3.13586 3.15609 3.16902 3.18032 3.23382 3.23639 3.27015 3.27317 3.29468 3.31534 3.33488 3.36911 3.39018 3.40507 3.43313 3.45859 3.48766 3.50359 3.51861 3.55810 3.57953 3.60841 3.63007 3.66491 3.66820 3.68120 3.68597 3.75293 3.76745 3.83561 3.85145 3.90511 3.93325 3.93980 3.94519 4.01206 4.04862 4.07597 4.12517 4.14609 4.19601 4.24006 4.24093 4.29022 4.29903 4.32374 4.43210 4.55523 4.61238 4.65776 4.73719 4.74935 4.83797 4.92838 5.00482 5.04383 5.06965 5.26891 5.75360 6.82469 7.57430 7.66958 7.73839 8.09152 17.48053 17.58069 17.64586 23.56079 23.58833 23.73787 23.74915 23.75259 23.79166 23.79794 23.83663 23.85539 23.88282 23.89784 23.94223 23.99491 24.05148 24.10360 24.13651 24.18611 24.24495 35.58541 35.62201 35.63936 48.33739 50.03469 189.41640 290.72060 290.82291 290.921361020 .91305 -6.0599 -3.0028 3.4329 7.5845 -114.1145 -109.9432 -145.3931 9.0052 -9.1780 -14.8436 9.0357 13.2071 -22.2428 9.0052 -9.1780 -14.8436 -51.5001 -37.2065 -130.3362 -16.6979 -112.6715 19.5302 46.1329 -27.4248 -12.5092 23.3052 -4250.6669 -3104.5933 -2017.3621 194.2930 788.1516 -116.5688 -125.2470 1057.5924 -37.3626 -1404.2138 -1159.9076 -913.7039 -92.7425 284.7219 -51.3481 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 0 0 0 0 0 0 0 0 0 386.18109999999984 AuxInfo=1/0/N:32,15,31,12,27,23,1,2,26,29,21,3,18,10,4,19,8,28,34,11,5,20,9,25/CRV:1.3,3.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.3,15.3,16.3,17.3,23.1/rA:37nC3C3C3C3NHHC3O1C3NCHHCHHC3C3NCHC3HSC3C3CC3HC3C3HBrHHH/rB:s1;s2;s3;s1s4;s5;s1;s4;s8;s3;s10;s11;s12;s12;s2s12;s15;s15;s10;s8s18;s19;s20;s21;s21;s20;s21;s23;s26;s18s25s26;s27;s27;s28;s29s31;s31;s29;s32;s11;s23;/rC:-4.1662,-2.3159,1.3611;-2.7877,-2.4407,1.2834;-2.2923,-1.1306,1.2167;-3.3458,-.249,1.2296;-4.4841,-.9868,1.3277;-5.4193,-.6037,1.3681;-4.9374,-3.0662,1.4332;-3.1363,1.1547,.996;-3.9726,2.0222,.9416;-.904,-.7577,1.0424;-.0676,-1.7821,1.1092;-.4524,-3.1122,1.6336;.325,-3.8099,1.3278;-.4463,-3.0471,2.7261;-1.8282,-3.5835,1.1514;-1.7748,-3.8984,.1049;-2.123,-4.4514,1.7424;-.5768,.605,.8076;-1.6524,1.5089,.7596;-1.5022,2.8003,.5217;-.1939,3.4034,.2527;-.285,4.4849,.2969;.3171,2.8373,-1.0552;-2.3469,3.3675,.5582;.9663,2.7726,1.5222;.8801,1.6374,-.8791;1.4907,.7649,-1.8675;.8356,1.1772,.5787;2.3599,-.165,-1.441;1.2942,.9185,-2.9215;1.9973,.2927,.9344;2.7123,-.3103,-.0224;2.2615,.1856,1.9822;3.2356,-1.3166,-2.6478;3.5753,-.9172,.2264;.9193,-1.6062,.9641;.1525,3.3329,-2.0032; 0.000000 1.386300 0.000000 2.221976 1.402257 0.000000 2.227672 2.262327 1.373744 0.000000 1.366956 2.234653 2.199352 1.360154 0.000000 2.121747 3.210461 3.174689 2.108243 1.011400 0.000000 1.078432 2.243888 3.284843 3.242176 2.130805 2.510006 0.000000 3.638511 3.623689 2.446122 1.438290 2.552023 2.905622 4.609891 0.000000 4.362614 4.630179 3.583175 2.373624 3.076537 3.028278 5.202347 1.206205 0.000000 3.629210 2.537512 1.448010 2.501156 3.598761 4.529619 4.663731 2.939768 4.141722 0.000000 4.140829 2.804090 2.320592 3.620908 4.492851 5.485976 5.046677 4.249015 5.454299 1.324184 0.000000 3.807955 2.455015 2.736034 4.090575 4.567897 5.570725 4.489738 5.080967 6.263608 2.469296 1.480643 0.000000 4.733243 3.400775 3.747148 5.115075 5.576486 6.578582 5.315743 6.061146 7.254757 3.302724 2.076999 1.088413 0.000000 4.029334 2.816231 3.059293 4.298381 4.743898 5.704825 4.673552 5.280594 6.427865 2.878570 2.087603 1.094428 1.769760 0.000000 2.667793 1.498014 2.497275 3.664450 3.718588 4.671423 3.164591 4.917889 6.005524 2.975086 2.519188 1.532113 2.172173 2.162630 0.000000 3.130645 2.130648 3.027303 4.129300 4.160870 5.072759 3.529768 5.308613 6.370541 3.391353 2.898604 2.168828 2.431507 3.059446 1.094120 0.000000 2.979991 2.166826 3.366388 4.406614 4.213075 5.080360 3.152049 5.745580 6.780073 3.952115 3.427887 2.143823 2.564337 2.398098 1.090590 1.763004 0.000000 4.660640 3.793529 2.474380 2.928232 4.251109 5.022483 5.734483 2.624672 3.682141 1.420910 2.459302 3.809875 4.535929 4.127406 4.384894 4.712688 5.369452 0.000000 4.616238 4.142777 2.754110 2.485634 3.817089 4.361555 5.672441 1.543815 2.383288 2.403562 3.669321 4.853668 5.702791 5.106739 5.110420 5.448135 6.059008 1.405796 0.000000 5.828914 5.449841 4.069264 3.632846 4.887092 5.258064 6.859084 2.367092 2.623816 3.645255 4.837481 6.107044 6.905267 6.337718 6.423015 6.717161 7.379814 2.399504 1.321702 0.000000 7.051071 6.476418 5.088183 4.922217 6.231846 6.678779 8.108662 3.777152 4.081753 4.294460 5.257265 6.665361 7.311407 6.913108 7.231529 7.472441 8.224222 2.878503 2.444046 1.465541 0.000000 7.902381 7.429795 6.034041 5.713873 6.973965 7.307795 8.941846 4.439548 4.481015 5.331408 6.323177 7.715667 8.380863 7.915762 8.259001 8.516860 9.237168 3.924305 3.307718 2.090554 1.086258 0.000000 7.245219 6.554864 5.264439 5.306760 6.584375 7.114743 8.285743 4.354834 4.801363 4.337573 5.115766 6.574053 7.061388 7.036139 7.120197 7.147810 8.179516 3.041753 2.989504 2.407896 1.513997 2.214822 0.000000 6.021202 5.869873 4.546327 3.811440 4.911204 5.085877 6.990611 2.389817 2.144669 4.396931 5.658314 6.836066 7.697117 7.032713 6.995481 7.302453 7.911165 3.290441 1.994330 1.018094 2.174852 2.359806 3.159331 0.000000 7.229183 6.428715 5.093805 5.273459 6.624100 7.224921 8.303834 4.441395 5.029218 4.023837 4.688786 6.054432 6.616523 6.108533 6.953160 7.350155 7.859891 2.755065 3.006006 2.663745 1.831891 2.449321 2.658714 3.501486 0.000000 6.790506 5.895732 4.702934 5.085499 6.366399 7.053701 7.830303 4.458722 5.197250 3.551203 4.067411 5.536003 5.903431 6.058120 6.222082 6.217808 7.277537 2.456234 3.019133 2.998325 2.356536 3.293772 1.337081 3.933538 2.657514 0.000000 7.205215 6.205571 5.236039 5.831907 6.998319 7.751811 8.178823 5.455332 6.270506 4.064527 4.216214 5.573658 5.700653 6.275747 6.247956 6.024978 7.300631 3.384715 4.163435 4.336885 3.780840 4.655763 2.516305 5.233053 3.974445 1.452941 0.000000 6.150762 5.168622 3.939153 4.465592 5.791718 6.551263 7.215609 3.993839 4.895355 2.642957 3.139243 4.601220 5.068855 4.909189 5.485260 5.727192 6.464404 1.541008 2.516500 2.846578 2.474275 3.503704 2.386214 3.863408 1.858125 1.529241 2.565717 0.000000 7.420791 6.252970 5.444172 6.300330 7.428499 8.282542 8.362412 6.155437 7.110682 4.143914 3.874495 5.103790 5.009218 5.791937 5.995547 5.781362 6.971594 3.778033 4.872726 5.249917 4.703669 5.624759 3.651815 6.215311 4.399176 2.398812 1.342494 2.864324 0.000000 7.656169 6.754798 5.846862 6.334297 7.421234 8.111038 8.583385 5.918749 6.624227 4.832562 5.039244 6.328187 6.430610 7.116915 6.826775 6.463758 7.890724 4.183874 4.751971 4.818338 4.297017 5.056774 2.849439 5.600324 4.826131 2.204461 1.083033 3.539491 2.121667 0.000000 6.706397 5.521780 4.528411 5.378586 6.618276 7.483208 7.721541 5.205873 6.215415 3.087547 2.932472 4.252483 4.447791 4.509565 5.450356 5.699341 6.335300 2.596076 3.850975 4.324958 3.865597 4.815606 3.640938 5.335552 2.749270 2.518902 2.886243 1.502854 2.446139 3.969074 0.000000 7.297284 6.041048 5.220598 6.186420 7.353222 8.254905 8.260321 6.114746 7.145519 3.796325 3.342884 4.539669 4.446279 5.002142 5.719047 5.746742 6.606275 3.513540 4.792893 5.266363 4.723757 5.663946 4.087933 6.281672 3.865097 2.807928 2.460311 2.469059 1.468958 3.453363 1.338025 0.000000 6.925194 5.734127 4.801619 5.674208 6.877998 7.745650 7.918346 5.572088 6.581809 3.434186 3.171525 4.285111 4.488001 4.282076 5.623293 6.041087 6.386117 3.100205 4.308620 4.809933 4.401675 5.273437 4.476344 5.778362 2.929479 3.493195 3.968595 2.233027 3.442482 5.051547 1.085841 2.113600 0.000000 8.476728 7.279938 6.747271 7.712804 8.689455 9.567768 9.301262 7.744990 8.717137 5.573670 5.024212 5.929220 5.522026 6.740134 6.724092 6.272686 7.603532 5.492357 6.594355 7.031417 6.515551 7.397492 5.320549 7.961352 6.265789 4.171620 2.825964 4.731686 1.883905 2.973107 4.117649 2.859904 4.964021 0.000000 7.948237 6.627691 5.954424 7.025257 8.134658 9.072220 8.862363 7.066196 8.131603 4.555869 3.846867 4.797987 4.488329 5.192141 6.096063 6.125840 6.874492 4.460360 5.787848 6.299904 5.733759 6.640052 5.133701 7.317223 4.701183 3.874571 3.400001 3.466553 2.196220 4.299137 2.110746 1.083969 2.454558 2.921645 0.000000 5.150125 3.813204 3.256499 4.483727 5.451022 6.430152 6.054213 4.906336 6.090758 2.012705 1.012973 2.144274 2.311183 2.654412 3.390182 3.640134 4.237468 2.674388 4.044692 5.047502 5.180941 6.244845 4.917827 5.964149 4.414537 3.730895 3.737215 2.811291 3.152292 4.648891 2.183801 2.422267 2.459372 4.300486 2.841313 0.000000 7.866235 7.265054 6.022205 5.959715 7.159129 7.609720 8.869312 4.955384 5.235073 5.208076 5.991498 7.425038 7.883131 7.964234 7.855583 7.774953 8.933146 3.984191 3.770630 3.065407 2.283360 2.609372 1.082282 3.578997 3.661209 2.160505 2.898878 3.432071 4.174201 2.824170 4.612498 4.873298 5.498723 5.615890 5.894922 5.812697 0.000000 0.2734466 0.1462843 0.1094606 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 6 6 6 6 7 1 1 6 8 6 7 6 1 1 6 1 1 6 6 7 6 1 6 1 16 6 6 6 6 1 6 6 1 35 1 1 1 0.000002220 0.000006776 0.000006043 -0.000002669 0.000004106 -0.000004345 -0.000000791 0.000000033 -0.000002856 -0.000000717 0.000003734 0.000005204 0.000025828 -0.000021177 -0.000002135 -0.000015305 0.000006106 0.000000913 0.000000128 -0.000002389 -0.000001566 -0.000022041 0.000023908 0.000000783 0.000030846 -0.000030106 0.000002589 0.000021558 -0.000018353 -0.000007292 0.000021283 0.000000769 -0.000007281 -0.000007987 0.000001516 -0.000015623 0.000007172 -0.000006521 0.000004230 -0.000001077 0.000004350 0.000015370 0.000005870 0.000016936 0.000002520 0.000002485 -0.000000618 -0.000007758 -0.000001200 -0.000013074 0.000010590 -0.000000783 0.000023577 -0.000000429 -0.000006984 0.000004609 0.000002444 0.000013771 -0.000001081 -0.000006228 -0.000006308 -0.000003560 0.000002032 -0.000000875 -0.000001526 0.000001929 -0.000007152 -0.000000805 0.000000889 -0.000006832 0.000006622 0.000003961 -0.000007336 0.000004204 -0.000001706 0.000003295 0.000001220 0.000007487 0.000004114 -0.000011639 0.000023041 -0.000002955 0.000000755 -0.000002385 -0.000005609 0.000003347 -0.000000699 -0.000006496 0.000002733 -0.000042211 -0.000002352 -0.000032277 -0.000002397 -0.000011231 0.000012794 0.000014440 -0.000002201 -0.000005992 0.000006562 0.000002433 0.000012887 -0.000007723 0.000006497 0.000000153 0.000003049 -0.000030330 0.000002848 0.000000641 0.000001732 0.000005138 -0.000002084 0.000042211 0.000011192 11 -3905.18478406 PT9211.600S 2025-08-18T14:18:36.000 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 27 28 29 30 31 32 33 34 35 36 37 C C C C N H H C O C N C H H C H H C C N C H C H S C C C C H C C H Br H H H -0.148421 0.893672 1.627597 -0.566120 -0.102221 0.372737 0.182297 -1.106080 -0.213675 -0.698575 0.065338 -0.220519 0.215363 0.228239 -0.814029 0.245349 0.229476 -0.195498 0.120968 0.042361 -1.141476 0.269574 -0.097765 0.374811 0.293657 -0.710879 -0.204317 0.823742 0.597360 0.198122 -0.059457 -0.435254 0.225098 -0.034003 0.213111 0.340799 0.188616 1.00000 -57.25813 -19.77139 -14.95644 -14.94625 -14.94312 -10.79211 -10.77982 -10.76453 -10.75309 -10.73621 -10.72606 -10.72537 -10.72330 -10.72184 -10.70574 -10.69154 -10.69100 -10.69096 -10.69066 -10.68922 -10.68651 -10.67948 -10.67603 -9.12059 -8.38339 -6.94881 -6.93820 -6.93774 -6.30417 -6.30289 -6.29752 -2.98038 -2.97675 -2.97629 -2.96689 -2.96689 -1.33235 -1.25715 -1.23838 -1.22993 -1.12201 -1.08405 -1.06535 -1.05967 -1.02037 -1.00049 -0.99371 -0.98152 -0.93861 -0.92389 -0.91134 -0.88521 -0.87662 -0.85821 -0.81653 -0.81112 -0.78740 -0.78319 -0.76857 -0.76257 -0.72929 -0.71789 -0.70365 -0.70034 -0.69407 -0.68023 -0.67199 -0.66782 -0.65920 -0.65539 -0.64874 -0.64198 -0.63653 -0.62390 -0.61986 -0.60861 -0.60022 -0.59443 -0.57514 -0.56826 -0.56222 -0.55855 -0.54736 -0.53710 -0.52870 -0.50992 -0.49321 -0.47519 -0.45791 -0.45586 -0.45356 -0.42997 -0.41798 -0.40367 -0.38368 -0.21923 -0.16335 -0.11589 -0.10616 -0.10082 -0.09285 -0.08729 -0.08564 -0.07982 -0.07879 -0.07536 -0.07144 -0.06309 -0.06127 -0.05946 -0.05410 -0.05014 -0.04663 -0.04356 -0.03945 -0.03678 -0.03363 -0.03070 -0.02700 -0.02240 -0.02048 -0.01622 -0.01144 -0.00902 -0.00654 -0.00164 -0.00122 0.00810 0.00936 0.01344 0.01411 0.01700 0.02042 0.02504 0.02739 0.03242 0.03433 0.03859 0.04112 0.04289 0.04623 0.04800 0.05091 0.05683 0.05879 0.06032 0.06261 0.06382 0.06840 0.07235 0.07591 0.07730 0.08054 0.08345 0.08583 0.08778 0.09180 0.09336 0.09677 0.09827 0.10340 0.10562 0.10803 0.10995 0.11169 0.11213 0.11648 0.11970 0.12052 0.12336 0.12490 0.12827 0.12960 0.13665 0.13937 0.14148 0.14387 0.14862 0.15007 0.15062 0.15469 0.15490 0.15695 0.16033 0.16454 0.16704 0.16914 0.17362 0.17445 0.17795 0.18014 0.18462 0.18574 0.18817 0.19107 0.19398 0.19576 0.20030 0.20330 0.20507 0.20869 0.21306 0.21590 0.21875 0.22505 0.23038 0.23280 0.23671 0.23965 0.24355 0.24654 0.24687 0.25721 0.26082 0.26643 0.26890 0.27422 0.27603 0.28564 0.29142 0.29731 0.29991 0.30449 0.31487 0.32277 0.32561 0.33638 0.34242 0.34881 0.36009 0.36186 0.37381 0.37656 0.38234 0.38712 0.39321 0.40555 0.41301 0.41953 0.43214 0.43968 0.44642 0.45035 0.45669 0.46231 0.47368 0.47779 0.48497 0.48875 0.50220 0.50647 0.51314 0.51991 0.52687 0.52965 0.53565 0.53919 0.54079 0.54662 0.55057 0.55725 0.55932 0.56456 0.56789 0.57327 0.58113 0.58489 0.58911 0.59311 0.59953 0.60422 0.60600 0.61019 0.61644 0.62220 0.62423 0.62929 0.63390 0.63999 0.64099 0.64505 0.65168 0.65507 0.66084 0.66584 0.66891 0.67295 0.67640 0.68229 0.68549 0.68765 0.69639 0.71176 0.71741 0.72132 0.72645 0.72946 0.73737 0.74885 0.75804 0.76168 0.76843 0.77611 0.77662 0.78137 0.79114 0.79739 0.80765 0.81126 0.81547 0.81843 0.82070 0.83490 0.83898 0.84076 0.85041 0.86089 0.86809 0.87125 0.87229 0.88317 0.89254 0.89677 0.90053 0.90808 0.91779 0.92437 0.93013 0.93950 0.95709 0.95934 0.96437 0.97386 0.98038 0.99437 1.00989 1.01539 1.01936 1.02760 1.03347 1.03766 1.04413 1.04848 1.06467 1.06961 1.07389 1.08363 1.09519 1.09771 1.10720 1.11688 1.13859 1.15017 1.15772 1.16707 1.17252 1.17859 1.19536 1.20078 1.23292 1.24562 1.25346 1.27355 1.28266 1.29763 1.31589 1.32995 1.35279 1.36499 1.36711 1.37989 1.40358 1.41652 1.42248 1.43694 1.44324 1.44577 1.46032 1.46384 1.46872 1.47204 1.48153 1.48589 1.49544 1.50671 1.51822 1.52105 1.52786 1.53423 1.54020 1.54591 1.55288 1.56082 1.57254 1.57851 1.58666 1.59181 1.60407 1.60565 1.61504 1.62291 1.63480 1.63489 1.63963 1.65236 1.65850 1.67528 1.68247 1.68997 1.70422 1.70622 1.71602 1.71671 1.73468 1.74609 1.75767 1.76069 1.76774 1.77854 1.78753 1.79597 1.80202 1.80402 1.80953 1.82030 1.83022 1.83487 1.84426 1.85966 1.86575 1.87801 1.88716 1.89018 1.90140 1.91294 1.92183 1.93458 1.93934 1.95436 1.95771 1.96914 1.98197 1.98696 1.99089 2.01097 2.01544 2.03062 2.03855 2.04784 2.05130 2.06868 2.07434 2.08002 2.08833 2.10667 2.11886 2.13550 2.15086 2.16494 2.16820 2.17952 2.19471 2.22226 2.22532 2.25172 2.26540 2.27714 2.29320 2.30702 2.31820 2.32936 2.33517 2.34751 2.36758 2.38189 2.39418 2.41104 2.42069 2.43163 2.44112 2.44561 2.45926 2.47936 2.49849 2.51816 2.52900 2.55101 2.56877 2.58807 2.59292 2.60293 2.62554 2.63447 2.65014 2.66331 2.66671 2.68437 2.68552 2.70278 2.70733 2.71661 2.72486 2.73237 2.74022 2.75148 2.75866 2.76297 2.77938 2.79313 2.79820 2.80897 2.81171 2.82351 2.83417 2.83575 2.86587 2.87008 2.87686 2.89007 2.89769 2.90985 2.91293 2.91698 2.94723 2.94995 2.95886 2.97951 2.98958 3.02053 3.02764 3.03988 3.04512 3.08524 3.10881 3.13586 3.15613 3.16908 3.18034 3.23384 3.23642 3.27016 3.27317 3.29470 3.31534 3.33489 3.36909 3.39021 3.40501 3.43312 3.45859 3.48766 3.50357 3.51862 3.55807 3.57954 3.60843 3.63006 3.66492 3.66819 3.68117 3.68594 3.75290 3.76738 3.83562 3.85143 3.90513 3.93328 3.93976 3.94520 4.01211 4.04862 4.07598 4.12521 4.14611 4.19602 4.24006 4.24094 4.29020 4.29900 4.32376 4.43212 4.55528 4.61239 4.65784 4.73719 4.74940 4.83793 4.92839 5.00480 5.04382 5.06968 5.26892 5.75362 6.82470 7.57424 7.66959 7.73841 8.09149 17.48054 17.58068 17.64588 23.56074 23.58833 23.73786 23.74911 23.75259 23.79166 23.79792 23.83665 23.85543 23.88284 23.89783 23.94224 23.99491 24.05151 24.10362 24.13651 24.18613 24.24497 35.58541 35.62201 35.63939 48.33739 50.03472 189.41638 290.72054 290.82292 290.921371020 .91305 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 27 28 29 30 31 32 33 34 35 36 37 C C C C N H H C O C N C H H C H H C C N C H C H S C C C C H C C H Br H H H -0.148500 0.893637 1.626311 -0.565865 -0.102243 0.372738 0.182298 -1.106161 -0.213671 -0.697866 0.065127 -0.220277 0.215337 0.228239 -0.814270 0.245340 0.229476 -0.197174 0.121311 0.042440 -1.142617 0.269593 -0.096225 0.374801 0.293671 -0.711416 -0.206295 0.826283 0.597867 0.198128 -0.059467 -0.434211 0.225186 -0.034109 0.213077 0.340884 0.188622 1.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -6.0603 -3.0027 3.4352 7.5858 -114.1115 -109.9388 -145.3875 9.0075 -9.1940 -14.8522 9.0344 13.2072 -22.2416 9.0075 -9.1940 -14.8522 -51.6086 -37.2549 -130.2078 -16.7278 -112.7123 19.5804 46.0998 -27.4577 -12.4151 23.2992 -4252.3857 -3103.5527 -2018.2710 193.8423 788.5573 -116.9189 -124.7026 1058.1760 -36.8100 -1404.3590 -1160.2396 -913.5972 -92.5856 284.8638 -51.4454 0 -3905.1847841 5.833E-9 5.625E-6 6.7168688,9.8192163,-16.5360851,6.6968494,-6.8355369,-11.0422523 C01 [X(C18H13Br1N3O1S1)] -2.2083387 -1.1951669 1.2046347 0.000000120 0.000001618 0.000007628 0.000000085 -0.000001250 -0.000011228 0.000002568 -0.000000326 0.000000723 -0.000003064 -0.000005839 -0.000020337 -0.000000084 -0.000002133 0.000007074 0.000000498 -0.000001091 0.000001256 0.000000793 -0.000001064 -0.000001644 -0.000000201 0.000009625 0.000013227 0.000001629 -0.000005693 -0.000002979 0.000000170 0.000002958 0.000024423 0.000004270 -0.000012463 -0.000007724 -0.000003767 0.000000623 0.000001098 0.000001122 0.000001422 0.000000753 -0.000000419 -0.000000407 0.000001770 0.000002605 -0.000000616 -0.000000621 0.000001845 -0.000000987 -0.000000353 0.000000586 -0.000000373 -0.000000676 -0.000002002 0.000009711 0.000000544 -0.000004772 -0.000004634 0.000005268 -0.000001149 -0.000000066 -0.000003283 -0.000006172 -0.000005856 0.000000518 0.000000117 0.000000252 0.000001371 0.000004478 0.000000666 -0.000000876 -0.000000166 -0.000001581 -0.000000404 0.000005748 0.000012671 0.000005999 0.000000258 -0.000008405 0.000003568 -0.000000256 0.000008831 -0.000002760 -0.000006850 -0.000010040 -0.000007230 0.000006417 0.000004488 0.000007837 -0.000002715 -0.000001817 0.000001902 0.000008000 0.000015319 -0.000009269 -0.000003494 0.000003163 -0.000002160 -0.000001704 0.000001100 0.000001331 0.000001977 0.000000345 -0.000005338 -0.000003801 -0.000004279 -0.000001114 -0.000002401 -0.000003477 -0.000009527 -0.000000270 -0.000000395 0.000001233 386.18109999999984 AuxInfo=1/0/N:32,15,31,12,27,23,1,2,26,29,21,3,18,10,4,19,8,28,34,11,5,20,9,25/CRV:1.3,3.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.3,15.3,16.3,17.3,23.1/rA:37nC3C3C3C3NHHC3O1C3NCHHCHHC3C3NCHC3HSC3C3CC3HC3C3HBrHHH/rB:s1;s2;s3;s1s4;s5;s1;s4;s8;s3;s10;s11;s12;s12;s2s12;s15;s15;s10;s8s18;s19;s20;s21;s21;s20;s21;s23;s26;s18s25s26;s27;s27;s28;s29s31;s31;s29;s32;s11;s23;/rC:-4.1662,-2.3159,1.3611;-2.7877,-2.4407,1.2834;-2.2923,-1.1306,1.2167;-3.3458,-.249,1.2296;-4.4841,-.9868,1.3277;-5.4193,-.6037,1.3681;-4.9374,-3.0662,1.4332;-3.1363,1.1547,.996;-3.9726,2.0222,.9416;-.904,-.7577,1.0424;-.0676,-1.7821,1.1092;-.4524,-3.1122,1.6336;.325,-3.8099,1.3278;-.4463,-3.0471,2.7261;-1.8282,-3.5835,1.1514;-1.7748,-3.8984,.1049;-2.123,-4.4514,1.7424;-.5768,.605,.8076;-1.6524,1.5089,.7596;-1.5022,2.8003,.5217;-.1939,3.4034,.2527;-.285,4.4849,.2969;.3171,2.8373,-1.0552;-2.3469,3.3675,.5582;.9663,2.7726,1.5222;.8801,1.6374,-.8791;1.4907,.7649,-1.8675;.8356,1.1772,.5787;2.3599,-.165,-1.441;1.2942,.9185,-2.9215;1.9973,.2927,.9344;2.7123,-.3103,-.0224;2.2615,.1856,1.9822;3.2356,-1.3166,-2.6478;3.5753,-.9172,.2264;.9193,-1.6062,.9641;.1525,3.3329,-2.0032; Gaussian 16 GINC-EXP-3-17 APOTLURI1 Title Card Required ES64L-G16RevC.01 RM062X 6-311+G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RM062X/6-311+G(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 0 0 0 0 0 0 0 0 0 0 0 386.18109999999984 AuxInfo=1/0/N:32,15,31,12,27,23,1,2,26,29,21,3,18,10,4,19,8,28,34,11,5,20,9,25/CRV:1.3,3.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.3,15.3,16.3,17.3,23.1/rA:37nC3C3C3C3NHHC3O1C3NCHHCHHC3C3NCHC3HSC3C3CC3HC3C3HBrHHH/rB:s1;s2;s3;s1s4;s5;s1;s4;s8;s3;s10;s11;s12;s12;s2s12;s15;s15;s10;s8s18;s19;s20;s21;s21;s20;s21;s23;s26;s18s25s26;s27;s27;s28;s29s31;s31;s29;s32;s11;s23;/rC:-4.1662,-2.3159,1.3611;-2.7877,-2.4407,1.2834;-2.2923,-1.1306,1.2167;-3.3458,-.249,1.2296;-4.4841,-.9868,1.3277;-5.4193,-.6037,1.3681;-4.9374,-3.0662,1.4332;-3.1363,1.1547,.996;-3.9726,2.0222,.9416;-.904,-.7577,1.0424;-.0676,-1.7821,1.1092;-.4524,-3.1122,1.6336;.325,-3.8099,1.3278;-.4463,-3.0471,2.7261;-1.8282,-3.5835,1.1514;-1.7748,-3.8984,.1049;-2.123,-4.4514,1.7424;-.5768,.605,.8076;-1.6524,1.5089,.7596;-1.5022,2.8003,.5217;-.1939,3.4034,.2527;-.285,4.4849,.2969;.3171,2.8373,-1.0552;-2.3469,3.3675,.5582;.9663,2.7726,1.5222;.8801,1.6374,-.8791;1.4907,.7649,-1.8675;.8356,1.1772,.5787;2.3599,-.165,-1.441;1.2942,.9185,-2.9215;1.9973,.2927,.9344;2.7123,-.3103,-.0224;2.2615,.1856,1.9822;3.2356,-1.3166,-2.6478;3.5753,-.9172,.2264;.9193,-1.6062,.9641;.1525,3.3329,-2.0032; Title Card Required 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 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 2 2 3 3 4 4 5 8 8 10 10 11 11 12 12 12 15 15 18 18 19 20 20 21 21 21 23 23 25 26 26 27 27 28 29 29 31 31 32 2 5 7 3 15 4 10 5 8 6 9 19 11 18 12 36 13 14 15 16 17 19 28 20 21 24 22 23 25 26 37 28 27 28 29 30 31 32 34 32 33 35 1.3863 1.367 1.0784 1.4023 1.498 1.3737 1.448 1.3602 1.4383 1.0114 1.2062 1.5438 1.3242 1.4209 1.4806 1.013 1.0884 1.0944 1.5321 1.0941 1.0906 1.4058 1.541 1.3217 1.4655 1.0181 1.0863 1.514 1.8319 1.3371 1.0823 1.8581 1.4529 1.5292 1.3425 1.083 1.5029 1.469 1.8839 1.338 1.0858 1.084 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 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 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 5 1 1 3 2 2 4 3 3 5 1 1 4 4 4 9 3 3 11 10 10 12 11 11 11 13 13 14 2 2 2 12 12 16 10 10 19 8 8 18 19 19 21 20 20 20 22 22 23 21 21 26 21 23 23 27 26 26 29 18 18 18 25 25 26 27 27 32 28 28 32 29 29 31 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 8 8 8 10 10 10 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 23 23 23 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 31 31 31 32 32 32 5 7 7 3 15 15 4 10 10 5 8 8 4 6 6 9 19 19 11 18 18 12 36 36 13 14 15 14 15 15 12 16 17 16 17 17 19 28 28 18 20 20 21 24 24 22 23 25 23 25 25 26 37 37 28 27 28 28 29 30 30 25 26 31 26 31 31 32 34 34 32 33 33 31 35 35 108.511 130.7096 120.779 105.6534 135.2807 118.8321 109.1623 125.8073 124.8237 107.1181 120.8714 131.5306 109.5435 125.6178 124.8386 127.4633 112.8758 119.6384 113.5945 119.1888 127.2105 123.2787 118.2892 117.3792 106.9003 107.3786 113.4656 108.3402 110.8366 109.7246 108.2261 109.5796 112.7148 110.2308 108.4792 107.6025 116.4886 126.2829 117.2199 125.6411 111.1563 123.1938 122.4499 116.3364 121.1955 109.1156 107.8189 107.246 115.8336 111.5741 104.8406 111.3395 122.2806 126.1837 84.2131 128.7689 112.5408 118.6893 118.1582 120.0434 121.658 107.9304 106.2618 117.0491 102.9252 109.3149 112.3481 122.0502 121.3905 116.5292 120.6026 118.3299 121.0313 121.1844 117.9078 120.9067 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|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 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 5 5 7 7 2 2 7 7 1 1 15 15 1 1 1 3 3 3 2 2 10 10 2 2 4 4 3 3 8 8 3 3 5 5 4 4 9 9 3 3 18 18 3 3 11 11 10 10 10 36 36 36 11 11 11 13 13 13 14 14 14 10 10 28 28 10 10 10 19 19 19 8 8 18 18 19 19 19 24 24 24 20 20 22 22 25 25 20 22 23 21 21 37 37 21 21 21 23 23 28 28 23 23 23 27 27 27 26 26 30 30 18 18 25 25 26 26 27 27 34 34 28 28 33 33 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 23 23 23 23 25 25 25 26 26 26 26 26 26 26 26 26 26 27 27 27 27 28 28 28 28 28 28 29 29 29 29 31 31 31 31 2 2 2 2 5 5 5 5 3 3 3 3 15 15 15 15 15 15 4 4 4 4 10 10 10 10 5 5 5 5 8 8 8 8 19 19 19 19 11 11 11 11 18 18 18 18 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 19 19 19 19 28 28 28 28 28 28 20 20 20 20 21 21 21 21 21 21 23 23 23 23 23 23 25 25 25 26 26 26 26 28 28 28 27 27 27 27 28 28 28 28 28 28 29 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 32 32 3 15 3 15 4 6 4 6 4 10 4 10 12 16 17 12 16 17 5 8 5 8 11 18 11 18 1 6 1 6 9 19 9 19 18 20 18 20 12 36 12 36 19 28 19 28 13 14 15 13 14 15 2 16 17 2 16 17 2 16 17 8 20 8 20 25 26 31 25 26 31 21 24 21 24 22 23 25 22 23 25 26 37 26 37 26 37 28 28 28 27 28 27 28 18 26 31 29 30 29 30 18 25 31 18 25 31 32 34 32 34 32 33 32 33 32 33 31 35 31 35 29 35 29 35 0.6174 -173.4978 -179.6345 6.2503 0.0355 179.9694 -179.7422 0.1917 -1.0508 -176.0139 174.2255 -0.7376 -159.3301 80.4358 -39.3563 27.1406 -93.0935 147.1145 1.084 -171.8408 176.1081 3.1833 -7.8497 171.3173 177.9485 -2.8844 -0.6919 179.3736 171.1894 -8.7451 177.6425 -0.6076 6.6896 -171.5604 -2.3463 178.7081 179.2518 0.3061 -14.1822 177.8749 166.7309 -1.2121 -0.0812 -178.9847 178.9604 0.0569 165.1896 -78.7268 42.6985 -26.7652 89.3184 -149.2564 -45.3634 74.4628 -167.9577 -165.649 -45.8228 71.7567 74.7392 -165.4346 -47.8551 2.6452 -178.5298 -178.3487 0.4762 -138.3971 111.7699 -14.6477 42.7065 -67.1265 166.4559 -179.499 2.0354 1.5249 -176.9407 -168.1275 65.3006 -47.1251 10.2649 -116.307 131.2674 -81.6363 93.565 155.8306 -28.9681 32.4009 -152.3978 72.0373 -168.5255 -42.4019 -179.8092 0.5418 5.2178 -174.4311 -70.3317 41.7686 161.3605 158.7392 -17.0247 -21.6304 162.6056 80.8882 -32.4383 -149.907 -98.7998 147.8737 30.405 -0.5897 -178.5235 175.1023 -2.8316 104.9025 -77.2641 -132.0558 45.7776 -18.4553 159.378 13.2539 -166.3569 -168.7174 11.6718 -2.0746 177.5245 -179.849 -0.2498 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|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|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. 0.00357 0.00396 0.00520 0.00647 0.00710 0.00776 0.00867 0.00947 0.00985 0.01074 0.01244 0.01391 0.01574 0.01622 0.01718 0.01748 0.01829 0.01903 0.01998 0.02224 0.02570 0.02826 0.03138 0.03184 0.03306 0.04147 0.04228 0.04268 0.04419 0.04921 0.05043 0.05330 0.05569 0.06900 0.07142 0.07828 0.08087 0.09046 0.09642 0.10136 0.10493 0.10531 0.10875 0.11062 0.11109 0.11600 0.11959 0.12221 0.12576 0.12989 0.14580 0.14914 0.15665 0.16059 0.16533 0.17760 0.17943 0.18607 0.18824 0.19026 0.19843 0.20621 0.20775 0.21403 0.22508 0.23461 0.24265 0.25244 0.26628 0.26983 0.27942 0.29021 0.29736 0.30817 0.31648 0.32215 0.32474 0.32899 0.33774 0.33853 0.34882 0.35037 0.35358 0.35517 0.35740 0.35963 0.36190 0.36503 0.36707 0.36934 0.37918 0.38669 0.41372 0.44032 0.44665 0.46119 0.47397 0.48125 0.52304 0.53709 0.55425 0.56315 0.56794 0.58063 0.88762 Angle between quadratic step and forces= 65.74 degrees. 1 2 0.00023240 0.00000003 0.00000002 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 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 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 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 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 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 2.61973 2.58317 2.03794 2.64988 2.83084 2.59600 2.73634 2.57032 2.71797 1.91127 2.27940 2.91739 2.50235 2.68513 2.79801 1.91424 2.05680 2.06817 2.89527 2.06759 2.06092 2.65657 2.91208 2.49766 2.76947 1.92392 2.05273 2.86104 3.46177 2.52672 2.04522 3.51135 2.74566 2.88985 2.53695 2.04664 2.83998 2.77593 3.56007 2.52850 2.05194 2.04840 1.89387 2.28131 2.10799 1.84400 2.36109 2.07401 1.90524 2.19575 2.17858 1.86956 2.10960 2.29564 1.91190 2.19244 2.17885 2.22465 1.97005 2.08808 1.98260 2.08024 2.22024 2.15162 2.06454 2.04865 1.86576 1.87411 1.98035 1.89089 1.93446 1.91506 1.88890 1.91253 1.96724 1.92389 1.89332 1.87802 2.03311 2.20405 2.04587 2.19285 1.94004 2.15014 2.13715 2.03045 2.11526 1.90443 1.88180 1.87180 2.02168 1.94734 1.82981 1.94324 2.13420 2.20232 1.46980 2.24744 1.96421 2.07152 2.06225 2.09515 2.12333 1.88374 1.85462 2.04289 1.79638 1.90791 1.96084 2.13018 2.11866 2.03382 2.10491 2.06525 2.11240 2.11507 2.05788 2.11022 0.01078 -3.02811 -3.13521 0.10909 0.00062 3.14106 -3.13709 0.00335 -0.01834 -3.07202 3.04081 -0.01287 -2.78084 1.40387 -0.68690 0.47369 -1.62479 2.56763 0.01892 -2.99919 3.07367 0.05556 -0.13700 2.99005 3.10579 -0.05034 -0.01208 3.13066 2.98782 -0.15263 3.10045 -0.01060 0.11676 -2.99429 -0.04095 3.11904 3.12853 0.00534 -0.24753 3.10450 2.91000 -0.02115 -0.00142 -3.12387 3.12345 0.00099 2.88310 -1.37404 0.74523 -0.46714 1.55890 -2.60502 -0.79174 1.29962 -2.93141 -2.89112 -0.79976 1.25239 1.30444 -2.88738 -0.83523 0.04617 -3.11593 -3.11277 0.00831 -2.41548 1.95075 -0.25565 0.74537 -1.17158 2.90520 -3.13285 0.03552 0.02662 -3.08820 -2.93438 1.13971 -0.82249 0.17916 -2.02994 2.29105 -1.42482 1.63302 2.71976 -0.50559 0.56550 -2.65984 1.25729 -2.94132 -0.74005 -3.13826 0.00946 0.09107 -3.04440 -1.22752 0.72900 2.81627 2.77052 -0.29714 -0.37752 2.83800 1.41177 -0.56615 -2.61637 -1.72438 2.58088 0.53067 -0.01029 -3.11582 3.05611 -0.04942 1.83089 -1.34851 -2.30481 0.79897 -0.32211 2.78167 0.23132 -2.90348 -2.94467 0.20371 -0.03621 3.09839 -3.13896 -0.00436 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -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 -0.00001 -0.00000 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 -0.00001 0.00001 -0.00000 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 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -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 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00003 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00010 -0.00001 -0.00003 0.00000 -0.00001 -0.00003 -0.00002 0.00003 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00002 -0.00002 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00004 -0.00001 0.00004 -0.00007 0.00003 0.00004 0.00000 0.00001 -0.00003 0.00000 0.00003 -0.00002 -0.00004 0.00003 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00002 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00006 0.00001 -0.00002 -0.00002 -0.00002 0.00000 0.00001 -0.00001 -0.00003 -0.00005 -0.00000 0.00006 -0.00000 -0.00000 -0.00000 -0.00000 0.00008 -0.00002 -0.00003 -0.00003 0.00001 0.00001 -0.00003 0.00002 0.00004 -0.00004 0.00001 0.00001 -0.00000 -0.00001 0.00006 -0.00010 -0.00002 -0.00018 0.00002 -0.00006 0.00009 0.00001 -0.00012 -0.00005 0.00001 0.00008 0.00009 0.00009 0.00007 -0.00008 -0.00009 -0.00010 0.00013 -0.00002 0.00006 -0.00010 0.00016 -0.00006 0.00025 0.00003 -0.00009 -0.00002 0.00009 0.00016 0.00004 0.00018 -0.00017 -0.00002 -0.00024 -0.00031 -0.00011 -0.00017 -0.00039 -0.00036 -0.00016 -0.00012 -0.00007 0.00009 -0.00032 -0.00016 0.00044 0.00045 0.00042 0.00040 0.00041 0.00038 -0.00013 -0.00012 -0.00010 -0.00014 -0.00013 -0.00011 -0.00015 -0.00014 -0.00012 0.00019 0.00026 0.00004 0.00011 -0.00022 -0.00022 -0.00028 -0.00005 -0.00005 -0.00011 -0.00005 0.00005 -0.00011 -0.00001 0.00004 0.00003 0.00002 -0.00006 -0.00007 -0.00008 0.00001 0.00014 -0.00002 0.00011 0.00004 0.00017 0.00001 -0.00000 -0.00006 0.00027 0.00003 0.00013 -0.00010 0.00000 0.00007 0.00005 -0.00019 -0.00017 0.00006 0.00008 -0.00006 -0.00007 -0.00002 -0.00027 -0.00028 -0.00022 0.00019 0.00011 0.00017 0.00009 0.00025 0.00043 0.00020 0.00038 0.00015 0.00033 -0.00029 -0.00038 -0.00021 -0.00031 0.00009 0.00019 -0.00009 0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00003 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00010 -0.00001 -0.00003 0.00000 -0.00001 -0.00003 -0.00002 0.00003 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00002 -0.00002 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00004 -0.00001 0.00004 -0.00007 0.00003 0.00004 0.00000 0.00001 -0.00003 0.00000 0.00003 -0.00002 -0.00004 0.00003 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00002 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00006 0.00001 -0.00002 -0.00002 -0.00002 0.00000 0.00001 -0.00001 -0.00003 -0.00005 -0.00000 0.00006 -0.00000 -0.00000 -0.00000 -0.00000 0.00008 -0.00002 -0.00003 -0.00003 0.00001 0.00001 -0.00003 0.00002 0.00004 -0.00004 0.00001 0.00001 -0.00000 -0.00001 0.00006 -0.00010 -0.00002 -0.00018 0.00002 -0.00006 0.00009 0.00001 -0.00012 -0.00005 0.00001 0.00008 0.00009 0.00009 0.00007 -0.00008 -0.00009 -0.00010 0.00013 -0.00002 0.00006 -0.00010 0.00016 -0.00006 0.00025 0.00003 -0.00009 -0.00002 0.00009 0.00016 0.00004 0.00018 -0.00017 -0.00002 -0.00024 -0.00031 -0.00011 -0.00017 -0.00039 -0.00036 -0.00016 -0.00012 -0.00007 0.00009 -0.00032 -0.00016 0.00044 0.00045 0.00042 0.00040 0.00041 0.00038 -0.00013 -0.00012 -0.00010 -0.00014 -0.00013 -0.00011 -0.00015 -0.00014 -0.00012 0.00019 0.00026 0.00004 0.00011 -0.00022 -0.00022 -0.00028 -0.00005 -0.00005 -0.00011 -0.00005 0.00005 -0.00011 -0.00001 0.00004 0.00003 0.00002 -0.00006 -0.00007 -0.00008 0.00001 0.00014 -0.00002 0.00011 0.00004 0.00017 0.00001 -0.00000 -0.00006 0.00027 0.00003 0.00013 -0.00010 0.00000 0.00007 0.00005 -0.00019 -0.00017 0.00006 0.00008 -0.00006 -0.00007 -0.00002 -0.00027 -0.00028 -0.00022 0.00019 0.00011 0.00017 0.00009 0.00025 0.00043 0.00020 0.00038 0.00015 0.00033 -0.00029 -0.00038 -0.00021 -0.00031 0.00009 0.00019 -0.00009 0.00001 2.61973 2.58317 2.03794 2.64989 2.83084 2.59601 2.73636 2.57031 2.71797 1.91127 2.27939 2.91738 2.50238 2.68514 2.79802 1.91424 2.05680 2.06817 2.89526 2.06759 2.06092 2.65658 2.91209 2.49765 2.76946 1.92392 2.05273 2.86104 3.46179 2.52672 2.04521 3.51144 2.74565 2.88982 2.53695 2.04663 2.83995 2.77591 3.56009 2.52850 2.05195 2.04840 1.89388 2.28131 2.10799 1.84400 2.36108 2.07403 1.90522 2.19576 2.17859 1.86958 2.10961 2.29564 1.91189 2.19245 2.17884 2.22466 1.97004 2.08809 1.98256 2.08023 2.22029 2.15154 2.06456 2.04869 1.86576 1.87412 1.98032 1.89089 1.93450 1.91504 1.88886 1.91255 1.96723 1.92390 1.89333 1.87802 2.03310 2.20406 2.04588 2.19287 1.94004 2.15012 2.13717 2.03045 2.11525 1.90442 1.88186 1.87180 2.02165 1.94732 1.82980 1.94325 2.13421 2.20231 1.46976 2.24739 1.96420 2.07158 2.06225 2.09515 2.12333 1.88374 1.85470 2.04287 1.79635 1.90787 1.96085 2.13019 2.11864 2.03384 2.10495 2.06521 2.11240 2.11508 2.05788 2.11021 0.01084 -3.02821 -3.13523 0.10891 0.00064 3.14100 -3.13700 0.00336 -0.01846 -3.07207 3.04081 -0.01279 -2.78074 1.40396 -0.68682 0.47361 -1.62487 2.56753 0.01905 -2.99921 3.07373 0.05546 -0.13684 2.99000 3.10604 -0.05031 -0.01217 3.13064 2.98791 -0.15247 3.10048 -0.01042 0.11659 -2.99431 -0.04119 3.11874 3.12843 0.00517 -0.24792 3.10415 2.90985 -0.02127 -0.00149 -3.12378 3.12312 0.00084 2.88355 -1.37359 0.74565 -0.46674 1.55931 -2.60464 -0.79187 1.29950 -2.93152 -2.89126 -0.79989 1.25228 1.30429 -2.88752 -0.83535 0.04636 -3.11567 -3.11274 0.00842 -2.41570 1.95054 -0.25593 0.74532 -1.17163 2.90509 -3.13290 0.03558 0.02650 -3.08821 -2.93434 1.13974 -0.82247 0.17910 -2.03001 2.29096 -1.42481 1.63316 2.71974 -0.50548 0.56554 -2.65968 1.25730 -2.94133 -0.74011 -3.13800 0.00949 0.09120 -3.04450 -1.22752 0.72907 2.81632 2.77034 -0.29731 -0.37746 2.83808 1.41171 -0.56623 -2.61639 -1.72465 2.58060 0.53044 -0.01010 -3.11571 3.05628 -0.04933 1.83114 -1.34808 -2.30461 0.79935 -0.32196 2.78200 0.23104 -2.90386 -2.94488 0.20340 -0.03611 3.09858 -3.13905 -0.00435 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000003 0.001639 0.000232 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.077965e-08 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 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 2 2 3 3 4 4 5 8 8 10 10 11 11 12 12 12 15 15 18 18 19 20 20 21 21 21 23 23 25 26 26 27 27 28 29 29 31 31 32 2 5 7 3 15 4 10 5 8 6 9 19 11 18 12 36 13 14 15 16 17 19 28 20 21 24 22 23 25 26 37 28 27 28 29 30 31 32 34 32 33 35 1.3863 1.367 1.0784 1.4023 1.498 1.3737 1.448 1.3602 1.4383 1.0114 1.2062 1.5438 1.3242 1.4209 1.4806 1.013 1.0884 1.0944 1.5321 1.0941 1.0906 1.4058 1.541 1.3217 1.4655 1.0181 1.0863 1.514 1.8319 1.3371 1.0823 1.8581 1.4529 1.5292 1.3425 1.083 1.5029 1.469 1.8839 1.338 1.0858 1.084 -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 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 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 5 1 1 3 2 2 4 3 3 5 1 1 4 4 4 9 3 3 11 10 10 12 11 11 11 13 13 14 2 2 2 12 12 16 10 10 19 8 8 18 19 19 21 20 20 20 22 22 23 21 21 26 21 23 23 27 26 26 29 18 18 18 25 25 26 27 27 32 28 28 32 29 29 31 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 8 8 8 10 10 10 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 23 23 23 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 31 31 31 32 32 32 5 7 7 3 15 15 4 10 10 5 8 8 4 6 6 9 19 19 11 18 18 12 36 36 13 14 15 14 15 15 12 16 17 16 17 17 19 28 28 18 20 20 21 24 24 22 23 25 23 25 25 26 37 37 28 27 28 28 29 30 30 25 26 31 26 31 31 32 34 34 32 33 33 31 35 35 108.511 130.7096 120.779 105.6534 135.2807 118.8321 109.1623 125.8073 124.8237 107.1181 120.8714 131.5306 109.5435 125.6178 124.8386 127.4633 112.8758 119.6384 113.5945 119.1888 127.2105 123.2787 118.2892 117.3792 106.9003 107.3786 113.4656 108.3402 110.8366 109.7246 108.2261 109.5796 112.7148 110.2308 108.4792 107.6025 116.4886 126.2829 117.2199 125.6411 111.1563 123.1938 122.4499 116.3364 121.1955 109.1156 107.8189 107.246 115.8336 111.5741 104.8406 111.3395 122.2806 126.1837 84.2131 128.7689 112.5408 118.6893 118.1582 120.0434 121.658 107.9304 106.2618 117.0491 102.9252 109.3149 112.3481 122.0502 121.3905 116.5292 120.6026 118.3299 121.0313 121.1844 117.9078 120.9067 -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|-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 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 5 5 7 7 2 2 7 7 1 1 15 15 1 1 1 3 3 3 2 2 10 10 2 2 4 4 3 3 8 8 3 3 5 5 4 4 9 9 3 3 18 18 3 3 11 11 10 10 10 36 36 36 11 11 11 13 13 13 14 14 14 10 10 28 28 10 10 10 19 19 19 8 8 18 18 19 19 19 24 24 24 20 20 22 22 25 25 20 22 23 21 21 37 37 21 21 21 23 23 28 28 23 23 23 27 27 27 26 26 30 30 18 18 25 25 26 26 27 27 34 34 28 28 33 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 18 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 23 23 23 23 25 25 25 26 26 26 26 26 26 26 26 26 26 27 27 27 27 28 28 28 28 28 28 29 29 29 29 31 31 31 2 2 2 2 5 5 5 5 3 3 3 3 15 15 15 15 15 15 4 4 4 4 10 10 10 10 5 5 5 5 8 8 8 8 19 19 19 19 11 11 11 11 18 18 18 18 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 19 19 19 19 28 28 28 28 28 28 20 20 20 20 21 21 21 21 21 21 23 23 23 23 23 23 25 25 25 26 26 26 26 28 28 28 27 27 27 27 28 28 28 28 28 28 29 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 32 3 15 3 15 4 6 4 6 4 10 4 10 12 16 17 12 16 17 5 8 5 8 11 18 11 18 1 6 1 6 9 19 9 19 18 20 18 20 12 36 12 36 19 28 19 28 13 14 15 13 14 15 2 16 17 2 16 17 2 16 17 8 20 8 20 25 26 31 25 26 31 21 24 21 24 22 23 25 22 23 25 26 37 26 37 26 37 28 28 28 27 28 27 28 18 26 31 29 30 29 30 18 25 31 18 25 31 32 34 32 34 32 33 32 33 32 33 31 35 31 35 29 35 29 0.6174 -173.4978 -179.6345 6.2503 0.0355 179.9694 -179.7422 0.1917 -1.0508 -176.0139 174.2255 -0.7376 -159.3301 80.4358 -39.3563 27.1406 -93.0935 147.1145 1.084 -171.8408 176.1081 3.1833 -7.8497 171.3173 177.9485 -2.8844 -0.6919 179.3736 171.1894 -8.7451 177.6425 -0.6076 6.6896 -171.5604 -2.3463 178.7081 179.2518 0.3061 -14.1822 177.8749 166.7309 -1.2121 -0.0812 -178.9847 178.9604 0.0569 165.1896 -78.7268 42.6985 -26.7652 89.3184 -149.2564 -45.3634 74.4628 -167.9577 -165.649 -45.8228 71.7567 74.7392 -165.4346 -47.8551 2.6452 -178.5298 -178.3487 0.4762 -138.3971 111.7699 -14.6477 42.7065 -67.1265 166.4559 -179.499 2.0354 1.5249 -176.9407 -168.1275 65.3006 -47.1251 10.2649 -116.307 131.2674 -81.6363 93.565 155.8306 -28.9681 32.4009 -152.3978 72.0373 -168.5255 -42.4019 -179.8092 0.5418 5.2178 -174.4311 -70.3317 41.7686 161.3605 158.7392 -17.0247 -21.6304 162.6056 80.8882 -32.4383 -149.907 -98.7998 147.8737 30.405 -0.5897 -178.5235 175.1023 -2.8316 104.9025 -77.2641 -132.0558 45.7776 -18.4553 159.378 13.2539 -166.3569 -168.7174 11.6718 -2.0746 177.5245 -179.849 -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|-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|-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 6-311+G(d,p) (5D, 7F) 37 37 37 1.00e+00 60 F 0.000000 1.386300 0.000000 2.221976 1.402257 0.000000 2.227672 2.262327 1.373744 0.000000 1.366956 2.234653 2.199352 1.360154 0.000000 2.121747 3.210461 3.174689 2.108243 1.011400 0.000000 1.078432 2.243888 3.284843 3.242176 2.130805 2.510006 0.000000 3.638511 3.623689 2.446122 1.438290 2.552023 2.905622 4.609891 0.000000 4.362614 4.630179 3.583175 2.373624 3.076537 3.028278 5.202347 1.206205 0.000000 3.629210 2.537512 1.448010 2.501156 3.598761 4.529619 4.663731 2.939768 4.141722 0.000000 4.140829 2.804090 2.320592 3.620908 4.492851 5.485976 5.046677 4.249015 5.454299 1.324184 0.000000 3.807955 2.455015 2.736034 4.090575 4.567897 5.570725 4.489738 5.080967 6.263608 2.469296 1.480643 0.000000 4.733243 3.400775 3.747148 5.115075 5.576486 6.578582 5.315743 6.061146 7.254757 3.302724 2.076999 1.088413 0.000000 4.029334 2.816231 3.059293 4.298381 4.743898 5.704825 4.673552 5.280594 6.427865 2.878570 2.087603 1.094428 1.769760 0.000000 2.667793 1.498014 2.497275 3.664450 3.718588 4.671423 3.164591 4.917889 6.005524 2.975086 2.519188 1.532113 2.172173 2.162630 0.000000 3.130645 2.130648 3.027303 4.129300 4.160870 5.072759 3.529768 5.308613 6.370541 3.391353 2.898604 2.168828 2.431507 3.059446 1.094120 0.000000 2.979991 2.166826 3.366388 4.406614 4.213075 5.080360 3.152049 5.745580 6.780073 3.952115 3.427887 2.143823 2.564337 2.398098 1.090590 1.763004 0.000000 4.660640 3.793529 2.474380 2.928232 4.251109 5.022483 5.734483 2.624672 3.682141 1.420910 2.459302 3.809875 4.535929 4.127406 4.384894 4.712688 5.369452 0.000000 4.616238 4.142777 2.754110 2.485634 3.817089 4.361555 5.672441 1.543815 2.383288 2.403562 3.669321 4.853668 5.702791 5.106739 5.110420 5.448135 6.059008 1.405796 0.000000 5.828914 5.449841 4.069264 3.632846 4.887092 5.258064 6.859084 2.367092 2.623816 3.645255 4.837481 6.107044 6.905267 6.337718 6.423015 6.717161 7.379814 2.399504 1.321702 0.000000 7.051071 6.476418 5.088183 4.922217 6.231846 6.678779 8.108662 3.777152 4.081753 4.294460 5.257265 6.665361 7.311407 6.913108 7.231529 7.472441 8.224222 2.878503 2.444046 1.465541 0.000000 7.902381 7.429795 6.034041 5.713873 6.973965 7.307795 8.941846 4.439548 4.481015 5.331408 6.323177 7.715667 8.380863 7.915762 8.259001 8.516860 9.237168 3.924305 3.307718 2.090554 1.086258 0.000000 7.245219 6.554864 5.264439 5.306760 6.584375 7.114743 8.285743 4.354834 4.801363 4.337573 5.115766 6.574053 7.061388 7.036139 7.120197 7.147810 8.179516 3.041753 2.989504 2.407896 1.513997 2.214822 0.000000 6.021202 5.869873 4.546327 3.811440 4.911204 5.085877 6.990611 2.389817 2.144669 4.396931 5.658314 6.836066 7.697117 7.032713 6.995481 7.302453 7.911165 3.290441 1.994330 1.018094 2.174852 2.359806 3.159331 0.000000 7.229183 6.428715 5.093805 5.273459 6.624100 7.224921 8.303834 4.441395 5.029218 4.023837 4.688786 6.054432 6.616523 6.108533 6.953160 7.350155 7.859891 2.755065 3.006006 2.663745 1.831891 2.449321 2.658714 3.501486 0.000000 6.790506 5.895732 4.702934 5.085499 6.366399 7.053701 7.830303 4.458722 5.197250 3.551203 4.067411 5.536003 5.903431 6.058120 6.222082 6.217808 7.277537 2.456234 3.019133 2.998325 2.356536 3.293772 1.337081 3.933538 2.657514 0.000000 7.205215 6.205571 5.236039 5.831907 6.998319 7.751811 8.178823 5.455332 6.270506 4.064527 4.216214 5.573658 5.700653 6.275747 6.247956 6.024978 7.300631 3.384715 4.163435 4.336885 3.780840 4.655763 2.516305 5.233053 3.974445 1.452941 0.000000 6.150762 5.168622 3.939153 4.465592 5.791718 6.551263 7.215609 3.993839 4.895355 2.642957 3.139243 4.601220 5.068855 4.909189 5.485260 5.727192 6.464404 1.541008 2.516500 2.846578 2.474275 3.503704 2.386214 3.863408 1.858125 1.529241 2.565717 0.000000 7.420791 6.252970 5.444172 6.300330 7.428499 8.282542 8.362412 6.155437 7.110682 4.143914 3.874495 5.103790 5.009218 5.791937 5.995547 5.781362 6.971594 3.778033 4.872726 5.249917 4.703669 5.624759 3.651815 6.215311 4.399176 2.398812 1.342494 2.864324 0.000000 7.656169 6.754798 5.846862 6.334297 7.421234 8.111038 8.583385 5.918749 6.624227 4.832562 5.039244 6.328187 6.430610 7.116915 6.826775 6.463758 7.890724 4.183874 4.751971 4.818338 4.297017 5.056774 2.849439 5.600324 4.826131 2.204461 1.083033 3.539491 2.121667 0.000000 6.706397 5.521780 4.528411 5.378586 6.618276 7.483208 7.721541 5.205873 6.215415 3.087547 2.932472 4.252483 4.447791 4.509565 5.450356 5.699341 6.335300 2.596076 3.850975 4.324958 3.865597 4.815606 3.640938 5.335552 2.749270 2.518902 2.886243 1.502854 2.446139 3.969074 0.000000 7.297284 6.041048 5.220598 6.186420 7.353222 8.254905 8.260321 6.114746 7.145519 3.796325 3.342884 4.539669 4.446279 5.002142 5.719047 5.746742 6.606275 3.513540 4.792893 5.266363 4.723757 5.663946 4.087933 6.281672 3.865097 2.807928 2.460311 2.469059 1.468958 3.453363 1.338025 0.000000 6.925194 5.734127 4.801619 5.674208 6.877998 7.745650 7.918346 5.572088 6.581809 3.434186 3.171525 4.285111 4.488001 4.282076 5.623293 6.041087 6.386117 3.100205 4.308620 4.809933 4.401675 5.273437 4.476344 5.778362 2.929479 3.493195 3.968595 2.233027 3.442482 5.051547 1.085841 2.113600 0.000000 8.476728 7.279938 6.747271 7.712804 8.689455 9.567768 9.301262 7.744990 8.717137 5.573670 5.024212 5.929220 5.522026 6.740134 6.724092 6.272686 7.603532 5.492357 6.594355 7.031417 6.515551 7.397492 5.320549 7.961352 6.265789 4.171620 2.825964 4.731686 1.883905 2.973107 4.117649 2.859904 4.964021 0.000000 7.948237 6.627691 5.954424 7.025257 8.134658 9.072220 8.862363 7.066196 8.131603 4.555869 3.846867 4.797987 4.488329 5.192141 6.096063 6.125840 6.874492 4.460360 5.787848 6.299904 5.733759 6.640052 5.133701 7.317223 4.701183 3.874571 3.400001 3.466553 2.196220 4.299137 2.110746 1.083969 2.454558 2.921645 0.000000 5.150125 3.813204 3.256499 4.483727 5.451022 6.430152 6.054213 4.906336 6.090758 2.012705 1.012973 2.144274 2.311183 2.654412 3.390182 3.640134 4.237468 2.674388 4.044692 5.047502 5.180941 6.244845 4.917827 5.964149 4.414537 3.730895 3.737215 2.811291 3.152292 4.648891 2.183801 2.422267 2.459372 4.300486 2.841313 0.000000 7.866235 7.265054 6.022205 5.959715 7.159129 7.609720 8.869312 4.955384 5.235073 5.208076 5.991498 7.425038 7.883131 7.964234 7.855583 7.774953 8.933146 3.984191 3.770630 3.065407 2.283360 2.609372 1.082282 3.578997 3.661209 2.160505 2.898878 3.432071 4.174201 2.824170 4.612498 4.873298 5.498723 5.615890 5.894922 5.812697 0.000000 0.2734466 0.1462843 0.1094606 1 -3905.18478406 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=1111111111111111111111111111111111111 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 114 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 111 vectors produced by pass 0 Test12= 5.34D-14 1.00D-09 XBig12= 2.98D+02 9.64D+00. AX will form 111 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 5.34D-14 1.00D-09 XBig12= 3.66D+01 6.95D-01. 111 vectors produced by pass 2 Test12= 5.34D-14 1.00D-09 XBig12= 9.76D-01 2.08D-01. 111 vectors produced by pass 3 Test12= 5.34D-14 1.00D-09 XBig12= 1.12D-02 1.17D-02. 111 vectors produced by pass 4 Test12= 5.34D-14 1.00D-09 XBig12= 9.70D-05 6.69D-04. 111 vectors produced by pass 5 Test12= 5.34D-14 1.00D-09 XBig12= 5.77D-07 5.27D-05. 110 vectors produced by pass 6 Test12= 5.34D-14 1.00D-09 XBig12= 2.67D-09 4.09D-06. 39 vectors produced by pass 7 Test12= 5.34D-14 1.00D-09 XBig12= 1.08D-11 1.77D-07. 3 vectors produced by pass 8 Test12= 5.34D-14 1.00D-09 XBig12= 4.48D-14 1.39D-08. 2 vectors produced by pass 9 Test12= 5.34D-14 1.00D-09 XBig12= 2.03D-16 1.24D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 820 with 114 vectors. Isotropic polarizability for W= 0.000000 259.95 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT54600.300S 2025-08-18T14:47:26.000 -57.25813 -19.77139 -14.95644 -14.94625 -14.94312 -10.79211 -10.77982 -10.76453 -10.75309 -10.73621 -10.72606 -10.72537 -10.72330 -10.72184 -10.70574 -10.69154 -10.69100 -10.69096 -10.69066 -10.68922 -10.68651 -10.67948 -10.67603 -9.12059 -8.38339 -6.94881 -6.93820 -6.93774 -6.30417 -6.30289 -6.29752 -2.98038 -2.97675 -2.97629 -2.96689 -2.96689 -1.33235 -1.25715 -1.23838 -1.22993 -1.12201 -1.08405 -1.06535 -1.05967 -1.02037 -1.00049 -0.99371 -0.98152 -0.93861 -0.92389 -0.91134 -0.88521 -0.87662 -0.85821 -0.81653 -0.81112 -0.78740 -0.78319 -0.76857 -0.76257 -0.72929 -0.71789 -0.70365 -0.70034 -0.69407 -0.68023 -0.67199 -0.66782 -0.65920 -0.65539 -0.64874 -0.64198 -0.63653 -0.62390 -0.61986 -0.60861 -0.60022 -0.59443 -0.57514 -0.56826 -0.56222 -0.55855 -0.54736 -0.53710 -0.52870 -0.50992 -0.49321 -0.47519 -0.45791 -0.45586 -0.45356 -0.42997 -0.41798 -0.40367 -0.38368 -0.21923 -0.16335 -0.11589 -0.10616 -0.10082 -0.09285 -0.08729 -0.08564 -0.07982 -0.07879 -0.07536 -0.07144 -0.06309 -0.06127 -0.05946 -0.05410 -0.05014 -0.04663 -0.04356 -0.03945 -0.03678 -0.03363 -0.03070 -0.02700 -0.02240 -0.02048 -0.01622 -0.01144 -0.00902 -0.00654 -0.00164 -0.00122 0.00810 0.00936 0.01344 0.01411 0.01700 0.02042 0.02504 0.02739 0.03242 0.03433 0.03859 0.04112 0.04289 0.04623 0.04800 0.05091 0.05683 0.05879 0.06032 0.06261 0.06382 0.06840 0.07235 0.07591 0.07730 0.08054 0.08345 0.08583 0.08778 0.09180 0.09336 0.09677 0.09827 0.10340 0.10562 0.10803 0.10995 0.11169 0.11213 0.11648 0.11970 0.12052 0.12336 0.12490 0.12827 0.12960 0.13665 0.13937 0.14148 0.14387 0.14862 0.15007 0.15062 0.15469 0.15490 0.15695 0.16033 0.16454 0.16704 0.16914 0.17362 0.17445 0.17795 0.18014 0.18462 0.18574 0.18817 0.19107 0.19398 0.19576 0.20030 0.20330 0.20507 0.20869 0.21306 0.21590 0.21875 0.22505 0.23038 0.23280 0.23671 0.23965 0.24355 0.24654 0.24687 0.25721 0.26082 0.26643 0.26890 0.27422 0.27603 0.28564 0.29142 0.29731 0.29991 0.30449 0.31487 0.32277 0.32561 0.33638 0.34242 0.34881 0.36009 0.36186 0.37381 0.37656 0.38234 0.38712 0.39321 0.40555 0.41301 0.41953 0.43214 0.43968 0.44642 0.45035 0.45669 0.46231 0.47368 0.47779 0.48497 0.48875 0.50220 0.50647 0.51314 0.51991 0.52687 0.52965 0.53565 0.53919 0.54079 0.54662 0.55057 0.55725 0.55932 0.56456 0.56789 0.57327 0.58113 0.58489 0.58911 0.59311 0.59953 0.60422 0.60600 0.61019 0.61644 0.62220 0.62423 0.62929 0.63390 0.63999 0.64099 0.64505 0.65168 0.65507 0.66084 0.66584 0.66891 0.67295 0.67640 0.68229 0.68549 0.68765 0.69639 0.71176 0.71741 0.72132 0.72645 0.72946 0.73737 0.74885 0.75804 0.76168 0.76843 0.77611 0.77662 0.78137 0.79114 0.79739 0.80765 0.81126 0.81547 0.81843 0.82070 0.83490 0.83898 0.84076 0.85041 0.86089 0.86809 0.87125 0.87229 0.88317 0.89254 0.89677 0.90053 0.90808 0.91779 0.92437 0.93013 0.93950 0.95709 0.95934 0.96437 0.97386 0.98038 0.99437 1.00989 1.01539 1.01936 1.02760 1.03347 1.03766 1.04413 1.04848 1.06467 1.06961 1.07389 1.08363 1.09519 1.09771 1.10720 1.11688 1.13859 1.15017 1.15772 1.16707 1.17252 1.17859 1.19536 1.20078 1.23292 1.24562 1.25346 1.27355 1.28266 1.29763 1.31589 1.32995 1.35279 1.36499 1.36711 1.37989 1.40358 1.41652 1.42248 1.43694 1.44324 1.44577 1.46032 1.46384 1.46872 1.47204 1.48153 1.48589 1.49544 1.50671 1.51822 1.52105 1.52786 1.53423 1.54020 1.54591 1.55288 1.56082 1.57254 1.57851 1.58666 1.59181 1.60407 1.60565 1.61504 1.62291 1.63480 1.63489 1.63963 1.65236 1.65850 1.67528 1.68247 1.68997 1.70422 1.70622 1.71602 1.71671 1.73468 1.74609 1.75767 1.76069 1.76774 1.77854 1.78753 1.79597 1.80202 1.80402 1.80953 1.82030 1.83022 1.83487 1.84426 1.85966 1.86575 1.87801 1.88716 1.89018 1.90140 1.91294 1.92183 1.93458 1.93934 1.95436 1.95771 1.96914 1.98197 1.98696 1.99089 2.01097 2.01544 2.03062 2.03855 2.04784 2.05130 2.06868 2.07434 2.08002 2.08833 2.10667 2.11886 2.13550 2.15086 2.16494 2.16820 2.17952 2.19471 2.22226 2.22532 2.25172 2.26540 2.27714 2.29320 2.30702 2.31820 2.32936 2.33517 2.34751 2.36758 2.38189 2.39418 2.41104 2.42069 2.43163 2.44112 2.44561 2.45926 2.47936 2.49849 2.51816 2.52900 2.55101 2.56877 2.58807 2.59292 2.60293 2.62554 2.63447 2.65014 2.66331 2.66671 2.68437 2.68552 2.70278 2.70733 2.71661 2.72486 2.73237 2.74022 2.75148 2.75866 2.76297 2.77938 2.79313 2.79820 2.80897 2.81171 2.82351 2.83417 2.83575 2.86587 2.87008 2.87686 2.89007 2.89769 2.90985 2.91293 2.91698 2.94723 2.94995 2.95886 2.97951 2.98958 3.02053 3.02764 3.03988 3.04512 3.08524 3.10881 3.13586 3.15613 3.16908 3.18034 3.23384 3.23642 3.27016 3.27317 3.29470 3.31534 3.33489 3.36909 3.39021 3.40501 3.43312 3.45859 3.48766 3.50357 3.51862 3.55807 3.57954 3.60843 3.63006 3.66492 3.66819 3.68117 3.68594 3.75290 3.76738 3.83562 3.85143 3.90513 3.93328 3.93976 3.94520 4.01211 4.04862 4.07598 4.12521 4.14611 4.19602 4.24006 4.24094 4.29020 4.29900 4.32376 4.43212 4.55528 4.61239 4.65784 4.73719 4.74940 4.83793 4.92839 5.00480 5.04382 5.06968 5.26892 5.75362 6.82470 7.57424 7.66959 7.73841 8.09149 17.48054 17.58068 17.64588 23.56074 23.58833 23.73786 23.74911 23.75259 23.79166 23.79792 23.83665 23.85543 23.88284 23.89783 23.94224 23.99491 24.05151 24.10362 24.13651 24.18613 24.24497 35.58541 35.62201 35.63939 48.33739 50.03472 189.41638 290.72054 290.82292 290.921371020 .91305 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 27 28 29 30 31 32 33 34 35 36 37 C C C C N H H C O C N C H H C H H C C N C H C H S C C C C H C C H Br H H H -0.148500 0.893637 1.626311 -0.565865 -0.102243 0.372738 0.182298 -1.106161 -0.213671 -0.697866 0.065127 -0.220277 0.215337 0.228239 -0.814270 0.245340 0.229476 -0.197174 0.121311 0.042440 -1.142617 0.269593 -0.096225 0.374801 0.293671 -0.711416 -0.206295 0.826282 0.597867 0.198128 -0.059468 -0.434211 0.225186 -0.034109 0.213077 0.340884 0.188622 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 8 9 10 11 12 15 18 19 20 21 23 25 26 27 28 29 31 32 34 C C C C N C O C N C C C C N C C S C C C C C C Br 0.033798 0.893637 1.626311 -0.565865 0.270495 -1.106161 -0.213671 -0.697866 0.406012 0.223299 -0.339454 -0.197174 0.121311 0.417242 -0.873024 0.092397 0.293671 -0.711416 -0.008168 0.826282 0.597867 0.165718 -0.221134 -0.034109 1.00000 273.027 -19.386 316.646 -31.871 -2.758 190.167 342.128 -65.287 448.913 -11.359 -6.885 260.201 -4.7571 -3.7359 -1.9832 -0.0102 -0.0101 -0.0065 27.1960 35.2680 68.9879 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 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 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|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 27.1636 35.2636 68.9816 104.6802 143.5278 169.3414 173.2219 179.3846 197.6877 215.2289 223.4670 236.2508 285.1239 309.7819 329.7250 351.8764 362.3387 389.3592 405.5769 423.0485 439.9143 459.1636 488.4794 521.1939 547.0212 555.5339 577.2741 588.6786 602.0089 605.4996 631.0596 633.8377 653.5304 663.3737 666.6702 678.8905 717.5299 727.5782 743.1425 768.6649 774.7314 779.1266 808.6410 829.7969 846.6613 859.1064 870.3536 902.9901 908.7047 932.8607 953.3364 978.6267 995.5015 1021.8732 1025.2226 1044.3125 1055.3668 1068.9149 1080.7824 1108.2326 1139.1113 1163.9965 1198.6675 1205.1324 1226.0316 1229.7811 1235.0252 1263.8952 1300.3865 1309.1086 1316.4280 1323.4930 1337.4258 1366.2007 1386.8853 1391.1839 1409.9560 1422.5529 1461.9249 1476.7806 1485.3517 1501.5723 1527.0403 1543.6905 1585.3424 1600.8198 1640.5395 1656.9384 1679.6469 1689.0630 1719.4850 1833.1924 3067.3746 3077.5134 3138.0133 3160.8872 3180.2239 3189.4920 3219.3550 3225.5754 3240.0535 3286.5525 3537.7975 3571.7454 3648.7796 11.4845 6.6234 6.1161 8.3712 3.9122 7.1400 4.7727 5.0921 5.7849 8.6229 3.2661 7.3761 6.5232 2.9025 6.4506 4.9043 5.4753 5.8967 6.7041 5.4922 4.8226 4.1550 7.4217 4.8352 4.5218 7.8131 4.9252 4.3053 4.4101 3.7840 3.8529 3.6847 1.9691 1.8813 2.2425 1.7116 1.7829 4.1107 4.9560 2.6906 5.2654 6.2378 2.0820 1.6130 4.5803 1.5233 2.7664 2.9449 1.8380 3.0301 3.1856 3.6419 2.6950 1.4628 3.1357 2.6537 3.9611 1.9693 3.0970 1.8782 2.3255 2.9392 1.4406 3.2952 1.3615 1.3873 1.4909 1.3932 1.8041 1.6273 1.6526 1.4619 3.8279 1.5404 1.5455 3.4693 2.1303 1.8219 2.8843 2.5403 1.2327 1.3231 2.8930 4.2483 2.9054 5.7679 9.0728 5.7345 7.4877 7.0284 7.5267 12.3785 1.0706 1.0647 1.0983 1.0993 1.0898 1.0893 1.0965 1.0939 1.0962 1.0995 1.0775 1.0781 1.0825 0.0050 0.0049 0.0171 0.0540 0.0475 0.1206 0.0844 0.0965 0.1332 0.2353 0.0961 0.2426 0.3124 0.1641 0.4132 0.3578 0.4235 0.5267 0.6497 0.5791 0.5499 0.5161 1.0434 0.7739 0.7972 1.4207 0.9670 0.8790 0.9417 0.8174 0.9040 0.8722 0.4955 0.4878 0.5872 0.4648 0.5408 1.2821 1.6126 0.9366 1.8620 2.2310 0.8021 0.6544 1.9345 0.6624 1.2347 1.4148 0.8942 1.5536 1.7058 2.0550 1.5736 0.9000 1.9419 1.7051 2.5994 1.3257 2.1314 1.3591 1.7779 2.3463 1.2195 2.8197 1.2058 1.2362 1.3398 1.3112 1.7974 1.6431 1.6874 1.5087 4.0341 1.6940 1.7515 3.9561 2.4952 2.1722 3.6320 3.2641 1.6024 1.7577 3.9746 5.9646 4.3023 8.7087 14.3868 9.2759 12.4461 11.8140 13.1116 24.5095 5.9349 5.9410 6.3723 6.4715 6.4939 6.5286 6.6960 6.7056 6.7800 6.9973 7.9459 8.1031 8.4916 0.9273 1.4635 0.8806 0.0824 0.2068 2.3922 6.7220 2.1607 1.4055 0.8305 3.8854 1.7856 0.9192 5.8113 8.4524 0.7529 7.8193 10.8230 0.7922 3.7058 2.6894 4.2161 1.5346 0.3701 3.3268 16.6781 11.3902 9.7449 8.6897 10.6833 12.2187 2.8168 0.5135 57.9424 37.6102 34.1409 10.1383 3.4387 19.3375 19.3585 6.6788 1.2143 9.5532 41.4758 12.5349 8.5527 10.2799 7.0843 25.4665 4.3684 0.4351 15.3201 16.1065 5.2045 12.3864 47.6953 38.9710 0.3631 25.5661 88.6276 6.2114 40.4677 6.1052 16.0514 3.2033 22.5971 23.7485 19.6350 12.1523 16.6646 31.6572 15.2532 10.5661 13.8737 76.8816 87.3882 246.7540 17.1769 41.2018 28.3845 51.5155 93.5943 127.3394 7.5725 737.5730 76.8945 23.2307 61.9430 12.5691 90.3881 31.4620 360.8838 5.4536 5.3851 2.7039 3.2241 0.6277 1.6022 2.5419 2.7274 2.2052 8.0444 222.4664 219.4089 220.1428 -0.13 0.07 0.22 -0.14 0.03 0.15 -0.10 0.01 0.08 -0.07 0.04 0.11 -0.09 0.08 0.20 -0.07 0.11 0.24 -0.15 0.10 0.29 -0.04 0.03 0.05 -0.02 0.05 0.07 -0.10 -0.04 -0.01 -0.13 -0.06 -0.03 -0.14 -0.04 0.03 -0.18 -0.07 -0.00 -0.07 -0.01 0.02 -0.18 -0.01 0.13 -0.26 -0.04 0.13 -0.17 0.02 0.17 -0.06 -0.05 -0.04 -0.04 -0.02 -0.02 -0.01 -0.03 -0.04 0.00 -0.07 -0.05 0.03 -0.07 -0.06 -0.01 -0.08 -0.05 0.01 -0.00 -0.01 -0.00 -0.09 -0.06 -0.03 -0.09 -0.06 0.04 -0.04 -0.05 -0.05 -0.09 -0.06 0.06 -0.02 -0.05 0.09 -0.00 -0.06 -0.08 -0.12 -0.05 -0.02 -0.08 -0.03 -0.13 -0.17 -0.04 0.22 0.12 -0.06 -0.04 -0.09 -0.01 -0.13 -0.10 -0.09 0.02 -0.06 -0.05 0.01 0.00 0.01 0.01 0.00 -0.09 0.01 0.00 -0.02 0.01 0.01 0.10 0.01 0.01 0.13 0.02 0.01 0.21 0.01 0.00 0.00 0.00 0.02 0.16 0.00 0.03 0.26 -0.00 0.01 -0.06 0.00 0.01 -0.18 0.02 -0.04 -0.28 0.00 -0.02 -0.40 0.09 -0.14 -0.28 -0.01 0.01 -0.24 -0.07 0.10 -0.28 0.02 -0.04 -0.30 -0.01 0.03 0.02 -0.02 0.02 0.05 -0.03 0.01 -0.00 -0.05 0.00 -0.09 -0.05 0.01 -0.14 -0.08 -0.05 -0.08 -0.03 0.02 0.06 -0.00 0.07 -0.09 -0.04 -0.03 -0.04 -0.02 -0.06 -0.01 -0.02 0.03 -0.02 0.01 -0.01 0.03 -0.03 -0.11 -0.01 -0.01 0.06 0.02 0.01 0.05 0.04 -0.03 0.08 0.02 0.03 -0.05 0.09 0.02 0.07 0.06 -0.00 0.02 -0.20 -0.10 -0.09 -0.09 0.02 0.01 0.25 0.01 0.00 0.10 0.01 -0.01 -0.02 0.02 0.00 0.03 0.02 0.01 0.20 0.03 0.02 0.26 0.03 0.02 0.39 -0.00 -0.02 -0.11 -0.02 -0.04 -0.20 -0.00 -0.02 -0.13 -0.00 -0.02 -0.22 0.06 -0.02 -0.18 0.01 -0.03 -0.29 0.22 -0.02 -0.18 -0.02 -0.01 0.03 -0.16 -0.06 0.04 0.05 0.01 0.11 -0.00 -0.01 -0.11 -0.01 -0.01 -0.11 -0.00 -0.00 -0.07 0.01 0.02 0.05 -0.00 0.02 0.10 0.10 0.10 0.05 -0.01 -0.01 -0.09 -0.07 -0.04 0.09 0.09 0.09 0.02 0.10 0.10 0.01 0.00 0.01 -0.01 0.04 0.05 0.01 0.12 0.13 0.01 -0.01 0.00 0.01 0.01 0.02 0.02 -0.05 -0.03 0.02 -0.04 -0.02 0.03 -0.00 0.00 0.02 -0.01 -0.01 -0.28 0.15 0.14 0.06 0.00 -0.03 0.02 -0.00 -0.02 -0.04 -0.02 -0.02 -0.19 -0.02 -0.03 -0.18 -0.01 -0.03 -0.05 -0.01 -0.03 -0.00 0.01 -0.03 0.12 -0.00 0.00 0.05 0.04 0.07 0.46 -0.01 -0.01 -0.13 -0.00 -0.00 0.01 -0.02 0.06 0.16 0.02 0.03 0.31 -0.09 0.21 0.15 0.02 -0.02 0.14 0.09 -0.15 0.18 0.00 0.04 0.22 -0.02 -0.02 -0.17 -0.02 -0.02 -0.14 -0.03 -0.02 -0.12 -0.01 0.01 -0.01 -0.03 0.01 0.05 0.10 0.10 -0.00 -0.00 0.01 0.05 -0.10 -0.05 0.05 0.10 0.10 -0.03 0.15 0.13 -0.04 -0.01 0.01 -0.06 0.06 0.06 -0.03 0.21 0.18 -0.04 -0.03 -0.00 -0.03 -0.00 0.01 -0.01 -0.07 -0.02 -0.02 -0.01 -0.04 0.01 -0.02 -0.01 0.00 0.00 0.00 0.07 0.17 0.16 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.08 -0.00 -0.01 -0.03 -0.01 -0.01 -0.15 -0.01 -0.01 -0.14 -0.01 -0.01 -0.20 -0.00 -0.00 0.03 -0.00 0.01 -0.03 0.00 0.02 0.04 -0.01 -0.00 -0.08 -0.01 -0.02 -0.21 0.07 0.02 -0.06 0.01 -0.01 -0.14 0.27 0.11 -0.07 -0.02 -0.04 0.23 -0.17 -0.31 0.31 0.04 0.11 0.49 -0.01 0.01 0.02 0.01 0.02 0.06 0.02 0.03 0.12 0.02 0.00 0.04 0.04 0.01 0.03 -0.07 -0.03 0.01 0.03 0.04 0.13 0.08 -0.00 -0.03 -0.07 -0.03 -0.00 -0.10 -0.05 -0.00 -0.01 -0.01 0.00 -0.04 0.00 0.00 -0.14 -0.10 -0.00 -0.00 0.01 -0.00 0.01 0.03 -0.01 0.00 0.01 -0.00 0.00 0.01 0.03 0.03 0.06 -0.03 -0.02 -0.00 -0.25 -0.13 -0.04 0.02 -0.02 -0.01 -0.18 -0.00 0.01 0.05 -0.01 0.03 0.27 -0.02 0.02 0.20 -0.03 -0.01 -0.08 -0.04 -0.03 -0.19 -0.02 -0.03 -0.40 -0.04 0.00 0.09 -0.07 -0.03 -0.04 -0.03 0.03 0.09 -0.02 0.03 -0.05 0.02 0.05 0.01 0.02 0.05 0.02 0.02 0.08 0.00 0.01 0.03 0.02 0.00 0.03 0.02 0.04 0.02 0.03 -0.05 0.01 -0.03 -0.05 0.01 0.07 -0.04 0.02 0.10 -0.03 -0.00 0.09 -0.00 -0.00 0.16 -0.03 0.10 0.03 -0.03 0.03 0.09 0.00 -0.11 0.01 -0.00 0.09 -0.09 0.09 0.18 -0.14 -0.04 -0.02 -0.11 0.09 0.17 -0.15 0.08 0.19 -0.14 -0.03 -0.01 -0.13 0.06 0.14 -0.15 -0.08 -0.07 -0.13 0.04 -0.09 0.03 0.10 0.19 -0.15 -0.05 -0.00 -0.26 0.00 0.21 0.08 0.01 0.01 -0.14 0.02 0.02 0.10 0.03 0.02 0.23 0.02 0.02 0.09 0.01 0.01 -0.13 0.00 0.01 -0.26 -0.00 0.00 -0.32 0.02 0.01 0.05 0.01 0.01 0.06 0.01 0.01 0.09 0.00 -0.00 -0.09 0.07 -0.02 -0.10 0.02 -0.01 -0.26 0.25 -0.08 -0.10 -0.00 -0.01 0.10 -0.14 -0.11 0.12 0.04 0.05 0.21 0.00 0.01 0.05 -0.00 0.00 -0.02 -0.02 -0.02 -0.15 -0.02 0.00 -0.08 -0.04 0.00 -0.11 0.08 -0.02 -0.03 -0.03 -0.03 -0.19 -0.09 0.06 0.02 0.07 -0.01 0.04 0.10 -0.00 0.07 0.00 0.01 0.04 0.01 -0.08 0.07 0.19 0.07 0.06 -0.04 -0.04 0.07 -0.08 -0.14 0.09 -0.08 -0.07 0.07 -0.01 0.02 -0.05 -0.16 -0.24 0.12 -0.02 -0.02 -0.25 0.14 -0.05 -0.06 -0.08 0.05 -0.03 -0.08 -0.01 0.03 -0.01 -0.04 0.05 0.02 -0.00 0.01 -0.02 0.06 -0.04 0.00 0.11 -0.08 -0.12 0.08 -0.07 0.06 -0.03 0.01 0.09 0.00 0.01 0.02 -0.08 0.04 -0.03 -0.12 0.03 -0.10 -0.14 -0.01 -0.15 -0.17 -0.08 -0.04 -0.18 -0.01 -0.15 -0.07 0.05 -0.21 -0.12 0.06 -0.17 -0.02 0.10 0.06 -0.08 0.03 0.06 -0.07 -0.01 0.02 -0.08 -0.07 -0.02 -0.02 -0.05 -0.07 -0.02 -0.06 0.01 -0.02 -0.03 -0.01 -0.12 -0.09 -0.04 0.04 -0.02 0.02 -0.01 0.01 0.01 -0.00 0.01 0.04 -0.01 0.01 0.13 0.12 0.02 -0.11 -0.12 0.02 0.14 0.12 0.01 0.23 0.24 0.01 0.18 0.18 0.01 -0.05 0.02 0.00 0.34 0.39 -0.01 -0.01 -0.16 0.04 0.03 -0.04 -0.05 0.01 0.01 0.03 0.02 0.04 0.04 -0.03 0.05 -0.00 -0.05 0.03 -0.05 -0.03 -0.00 -0.02 -0.04 -0.03 -0.03 0.03 -0.01 0.04 -0.05 0.05 -0.02 -0.04 0.06 0.04 -0.04 0.06 0.02 0.02 0.12 0.01 0.09 0.08 -0.07 0.08 0.12 -0.19 0.18 -0.01 -0.06 0.07 0.09 -0.02 0.04 0.13 -0.03 0.12 0.05 -0.04 -0.04 0.04 0.03 -0.04 0.04 -0.04 -0.03 0.03 -0.08 0.02 -0.03 0.03 0.07 -0.02 0.03 0.05 -0.05 0.05 -0.01 0.05 -0.10 -0.12 -0.09 0.13 -0.04 -0.09 0.06 -0.17 -0.19 0.04 -0.01 -0.04 0.06 0.00 -0.06 -0.02 -0.36 -0.31 0.06 0.11 0.06 -0.00 0.16 0.14 -0.03 0.23 0.15 -0.02 0.05 -0.04 -0.06 0.29 0.32 -0.04 0.01 0.19 0.04 0.04 -0.07 0.05 -0.03 -0.05 0.09 -0.03 -0.01 0.01 -0.08 0.01 -0.11 -0.12 -0.03 -0.12 -0.09 -0.07 0.00 -0.10 -0.10 0.04 0.00 -0.08 0.20 -0.11 -0.02 -0.00 -0.12 -0.03 -0.02 -0.07 0.05 0.00 -0.05 0.07 0.02 0.00 0.03 -0.05 -0.00 0.07 -0.15 0.08 -0.04 -0.05 -0.02 0.01 0.02 -0.06 -0.02 0.03 0.02 0.03 0.06 -0.02 0.06 0.12 -0.06 0.03 0.14 -0.08 0.03 0.17 -0.09 -0.02 0.00 -0.08 -0.01 -0.11 -0.11 -0.10 0.02 -0.07 0.04 0.15 0.04 0.14 -0.03 0.10 -0.01 0.07 0.32 0.12 0.08 0.04 0.03 0.09 0.25 0.04 0.05 0.39 0.21 0.08 0.06 0.00 0.07 0.12 0.00 0.09 0.05 -0.02 0.07 0.02 -0.08 -0.11 0.10 -0.00 0.16 -0.04 0.13 0.13 -0.13 -0.15 0.00 -0.01 0.01 0.08 -0.01 -0.00 0.11 -0.00 -0.01 -0.01 -0.01 -0.01 -0.13 -0.01 0.00 -0.07 -0.01 0.01 -0.10 -0.01 0.01 0.12 0.01 0.00 -0.04 0.02 0.02 0.03 0.01 -0.01 0.09 0.02 0.01 0.20 0.05 -0.14 -0.14 -0.02 -0.07 -0.52 0.29 -0.49 -0.12 -0.05 -0.02 -0.00 -0.19 0.03 -0.02 -0.02 -0.04 -0.02 0.01 -0.00 0.03 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.03 0.03 -0.03 0.03 0.05 0.01 0.07 0.01 -0.01 -0.01 -0.01 -0.00 0.03 0.01 -0.02 0.05 -0.02 -0.03 0.06 -0.05 -0.01 0.03 -0.01 -0.07 0.01 -0.07 -0.00 0.12 -0.05 -0.02 0.02 -0.05 -0.08 -0.02 -0.07 0.02 0.01 -0.06 0.03 -0.02 0.01 -0.11 -0.06 -0.09 0.03 0.04 0.27 0.02 0.10 0.03 -0.02 0.06 -0.05 -0.02 0.00 -0.10 0.05 -0.02 -0.06 0.08 0.01 0.05 0.05 0.07 0.05 0.07 0.13 0.08 -0.04 0.09 -0.04 0.07 -0.02 0.03 0.06 -0.04 -0.04 0.07 -0.04 -0.06 0.00 -0.11 -0.12 -0.11 -0.01 0.08 -0.09 -0.10 0.31 -0.23 0.21 0.07 -0.08 -0.06 0.05 -0.04 -0.21 0.10 -0.14 0.04 0.17 0.08 -0.01 0.05 0.05 -0.02 0.06 -0.04 -0.01 0.07 -0.09 0.07 0.06 -0.16 0.06 0.02 -0.08 0.05 0.06 -0.09 -0.09 0.06 -0.13 0.16 0.11 -0.02 0.07 0.05 -0.10 0.02 -0.02 0.05 0.11 0.06 -0.14 -0.07 -0.10 -0.13 0.11 -0.00 0.07 0.10 -0.05 -0.11 -0.05 -0.10 0.21 0.12 -0.08 0.09 -0.08 -0.04 -0.16 -0.13 -0.12 0.02 -0.17 -0.09 -0.18 0.01 0.05 -0.05 -0.13 -0.01 -0.05 -0.09 -0.02 -0.07 -0.06 0.03 -0.08 -0.08 0.06 -0.07 -0.12 0.05 -0.08 -0.15 0.06 -0.03 -0.14 -0.03 -0.07 -0.05 0.02 -0.13 -0.12 0.05 -0.08 0.01 0.03 -0.09 0.01 -0.04 -0.06 0.01 0.00 -0.01 0.04 0.07 -0.10 0.08 0.00 -0.03 -0.08 0.01 -0.02 -0.14 0.03 0.00 -0.06 0.07 -0.04 0.04 0.07 -0.03 0.04 -0.03 0.07 0.03 -0.14 0.14 0.09 -0.00 0.07 0.08 0.04 0.30 0.17 0.03 0.11 0.09 -0.20 0.15 0.12 -0.00 0.04 0.04 0.03 -0.11 -0.05 0.00 -0.02 0.05 0.04 -0.06 -0.02 -0.03 -0.21 -0.09 0.02 0.00 0.06 -0.01 -0.00 0.07 -0.03 0.06 0.07 -0.02 0.02 -0.01 -0.01 0.03 0.12 -0.04 -0.09 0.02 -0.05 0.51 0.25 0.04 -0.01 -0.04 0.12 -0.00 -0.01 0.20 -0.02 0.00 0.13 -0.05 -0.03 -0.10 -0.04 -0.05 -0.11 -0.05 -0.07 -0.17 0.01 -0.05 0.11 0.01 -0.02 -0.04 0.08 0.05 0.02 -0.01 -0.02 0.00 -0.03 -0.04 -0.11 -0.05 0.04 0.05 -0.00 -0.00 0.26 -0.23 0.19 0.05 0.03 0.06 -0.12 0.10 0.49 -0.25 0.07 -0.19 -0.47 0.02 -0.03 0.01 0.02 -0.04 -0.01 0.01 -0.04 0.00 -0.01 -0.00 0.01 -0.05 -0.01 0.01 -0.01 0.00 0.01 -0.01 -0.06 -0.00 0.01 0.04 0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 0.02 0.01 0.01 -0.02 -0.00 -0.01 -0.01 0.03 0.00 0.03 0.01 -0.00 -0.01 -0.01 -0.02 0.05 0.00 -0.01 0.00 -0.00 0.00 -0.02 -0.03 -0.03 -0.03 -0.06 -0.18 -0.04 -0.01 0.01 0.01 -0.14 -0.06 0.01 -0.01 -0.13 -0.12 0.04 -0.05 -0.19 0.00 0.10 -0.13 -0.17 0.11 -0.18 -0.32 0.17 0.09 -0.23 -0.07 -0.02 0.03 0.03 0.26 0.29 -0.09 -0.08 0.02 0.03 -0.06 0.05 -0.01 0.07 0.03 -0.02 0.07 0.08 -0.12 0.17 -0.02 -0.02 0.05 -0.01 0.06 0.05 -0.24 0.13 0.03 0.12 0.24 0.04 -0.03 0.07 0.03 -0.09 0.03 0.01 -0.11 -0.05 -0.03 -0.05 -0.01 -0.09 -0.05 -0.00 0.00 -0.02 0.00 -0.02 -0.15 -0.10 -0.00 0.02 -0.00 0.02 -0.00 0.01 0.01 0.06 -0.04 0.05 -0.01 0.02 -0.05 0.01 -0.06 0.04 0.15 -0.03 0.08 -0.00 -0.03 -0.02 -0.04 -0.08 0.16 0.00 -0.05 -0.01 0.01 0.03 -0.03 -0.08 -0.14 -0.07 0.13 0.02 -0.01 -0.03 -0.00 0.05 0.02 0.05 0.04 0.01 -0.04 0.04 0.00 -0.08 0.05 0.02 -0.09 0.06 0.02 0.00 0.06 0.03 0.03 0.05 0.04 0.14 0.01 0.04 0.01 -0.00 0.03 -0.01 0.04 -0.00 0.07 0.01 -0.05 -0.07 -0.01 -0.01 0.03 0.01 -0.03 0.15 -0.09 0.10 0.02 0.02 -0.02 -0.02 0.06 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 0.03 0.27 0.00 0.04 0.12 -0.00 -0.00 -0.13 0.02 -0.01 -0.06 0.02 -0.01 -0.09 0.05 -0.05 0.00 -0.02 -0.01 -0.29 -0.04 0.03 0.02 -0.07 -0.09 0.05 -0.04 0.05 -0.04 -0.06 -0.06 0.08 0.12 0.19 -0.10 -0.17 0.06 -0.02 -0.15 -0.21 -0.03 -0.01 0.06 -0.09 -0.31 -0.54 -0.02 -0.01 -0.01 0.02 -0.06 -0.02 -0.10 0.02 -0.07 -0.05 0.22 -0.04 -0.02 -0.05 0.06 0.00 -0.04 0.04 -0.01 -0.00 0.02 -0.03 -0.00 -0.00 -0.02 -0.03 0.06 -0.00 -0.01 0.11 -0.01 -0.06 0.07 0.02 -0.04 -0.05 0.00 -0.15 -0.16 0.05 0.01 0.05 0.02 0.02 0.06 -0.03 -0.01 0.09 -0.03 -0.03 0.06 -0.03 0.00 0.10 -0.03 -0.03 0.07 0.01 -0.04 0.03 0.02 0.01 0.08 0.05 0.07 0.03 0.09 -0.00 -0.03 -0.01 -0.05 -0.05 -0.13 -0.02 -0.08 -0.01 -0.00 -0.08 -0.03 -0.04 -0.11 0.02 -0.06 -0.05 -0.19 0.03 -0.03 0.01 0.09 -0.04 0.04 0.04 0.09 -0.05 0.16 -0.04 0.06 -0.09 -0.04 -0.10 0.11 0.28 -0.04 0.25 -0.03 -0.06 0.02 -0.12 -0.17 0.48 0.05 -0.11 -0.02 0.04 0.06 0.03 -0.16 -0.31 0.02 0.09 0.04 -0.18 -0.22 -0.01 -0.01 -0.02 0.07 -0.02 -0.04 0.01 -0.01 -0.03 -0.06 0.00 -0.02 -0.09 -0.00 -0.01 -0.03 0.00 -0.01 -0.00 -0.02 -0.00 0.14 0.04 0.02 0.11 0.01 -0.02 -0.06 -0.01 0.00 0.05 -0.01 -0.00 -0.06 -0.02 0.02 0.01 0.00 0.01 0.11 -0.09 0.11 0.00 0.00 -0.03 -0.01 0.02 0.00 -0.02 0.03 -0.05 -0.03 0.00 0.02 0.20 0.05 0.08 0.30 0.05 0.05 0.08 0.06 0.01 -0.09 0.10 0.02 -0.04 0.15 0.06 -0.09 0.05 0.06 -0.04 -0.13 -0.13 -0.06 0.02 -0.00 -0.10 0.10 0.01 -0.05 -0.04 -0.00 -0.07 -0.09 -0.12 0.03 0.30 0.09 -0.08 0.07 0.18 -0.02 -0.04 -0.01 0.03 0.20 0.44 -0.03 -0.01 0.02 0.00 0.02 0.08 0.05 0.01 0.04 0.11 0.38 0.18 -0.07 -0.16 -0.03 -0.00 -0.16 -0.17 0.03 -0.07 -0.17 0.03 0.06 -0.10 0.03 -0.02 0.04 0.00 0.02 0.15 -0.01 -0.28 0.09 -0.02 0.25 -0.10 -0.01 0.22 -0.15 -0.01 -0.14 0.04 -0.02 -0.04 0.19 0.05 0.02 0.16 -0.06 0.07 0.23 -0.08 0.03 0.11 -0.05 0.03 -0.05 -0.01 0.03 -0.05 -0.01 0.27 -0.11 0.02 -0.03 0.05 -0.06 0.10 0.09 -0.03 0.05 0.14 0.05 0.05 0.06 -0.06 0.14 0.07 -0.14 -0.04 -0.07 -0.03 0.05 0.13 0.13 -0.06 0.03 0.03 -0.01 -0.04 0.01 -0.01 0.00 -0.02 0.01 -0.02 0.02 0.06 0.06 -0.04 -0.05 0.01 -0.01 -0.02 -0.09 -0.01 0.01 -0.01 -0.04 -0.07 -0.20 -0.01 -0.01 0.00 0.01 -0.03 -0.07 -0.05 -0.06 0.26 0.03 -0.10 -0.16 -0.07 0.13 -0.10 0.02 0.10 0.01 0.03 0.02 0.06 0.05 -0.03 0.01 0.01 0.02 -0.13 -0.02 -0.02 -0.24 -0.01 0.21 -0.18 -0.00 -0.05 0.07 0.01 -0.09 0.04 -0.01 -0.00 0.04 -0.03 -0.10 -0.06 0.04 -0.10 -0.12 0.01 -0.05 -0.06 0.01 -0.14 -0.14 0.01 -0.07 -0.09 -0.01 -0.11 -0.10 -0.01 -0.17 -0.04 0.01 0.02 0.05 -0.14 0.01 0.13 0.00 0.06 0.17 0.12 0.10 0.04 -0.10 0.19 0.06 -0.21 0.01 -0.09 -0.08 0.11 0.23 0.22 -0.09 0.05 0.06 0.11 -0.03 -0.02 -0.01 -0.07 -0.05 0.10 0.00 -0.02 0.05 0.00 -0.06 -0.10 -0.12 -0.04 0.08 -0.09 -0.06 0.07 -0.06 -0.09 0.07 -0.20 -0.07 -0.02 0.03 0.03 0.04 -0.14 -0.13 -0.10 -0.16 -0.06 -0.11 -0.21 -0.12 -0.08 0.06 -0.02 -0.06 0.06 0.01 -0.04 0.02 -0.05 -0.05 0.01 0.01 -0.07 0.06 -0.01 -0.06 0.10 0.00 -0.09 0.07 -0.03 -0.05 -0.03 0.08 -0.06 -0.04 -0.02 0.02 -0.06 -0.07 0.08 0.00 0.02 0.11 0.04 0.01 0.02 -0.01 -0.12 0.24 -0.04 0.02 0.06 0.14 0.03 0.10 0.21 0.01 0.08 0.07 -0.06 0.03 -0.10 -0.09 0.01 -0.11 0.11 0.04 -0.13 0.17 -0.03 -0.05 -0.03 -0.15 -0.06 -0.05 0.19 0.05 -0.01 0.04 -0.13 0.26 -0.07 0.11 -0.02 0.08 0.00 -0.02 -0.05 -0.10 -0.03 0.02 -0.03 -0.04 0.05 0.00 -0.03 -0.20 -0.24 -0.02 -0.02 -0.11 -0.05 0.05 -0.04 -0.04 -0.15 -0.27 -0.03 -0.01 0.02 0.02 -0.01 -0.12 -0.04 0.07 0.06 0.03 0.41 0.15 0.01 0.05 -0.03 0.04 0.03 0.05 -0.01 0.02 0.05 -0.01 -0.02 -0.04 -0.03 -0.01 -0.05 -0.02 -0.02 -0.07 -0.01 0.11 -0.09 0.08 0.05 -0.07 0.03 0.07 -0.07 -0.00 0.03 0.12 0.05 -0.04 0.06 0.02 -0.11 0.06 -0.05 -0.09 0.07 -0.02 -0.15 0.05 -0.05 -0.09 0.02 -0.01 -0.17 -0.10 0.03 -0.10 0.10 0.12 0.11 0.08 0.05 0.04 -0.01 0.06 -0.10 -0.03 -0.05 -0.10 0.02 0.07 -0.12 0.01 0.20 -0.02 0.15 0.02 -0.15 -0.10 -0.12 -0.01 -0.05 -0.04 0.02 0.13 -0.08 -0.08 -0.12 0.04 0.11 0.06 -0.09 0.09 0.02 0.06 -0.23 -0.41 0.02 0.01 -0.08 -0.03 0.10 -0.10 0.05 -0.24 -0.24 0.02 0.00 -0.00 -0.00 -0.03 -0.26 0.08 -0.03 -0.02 -0.01 -0.11 0.21 0.06 -0.01 -0.02 0.01 -0.01 0.07 -0.02 -0.01 0.05 -0.02 -0.06 -0.02 -0.01 -0.06 -0.03 0.00 -0.07 -0.05 0.01 0.04 -0.07 0.03 -0.01 -0.06 0.03 -0.03 -0.09 0.01 0.04 0.04 0.03 0.02 0.03 -0.00 -0.03 0.05 -0.03 -0.07 0.02 -0.05 -0.00 0.04 -0.02 -0.04 0.09 0.01 -0.07 0.03 0.03 -0.05 0.12 0.06 0.08 0.00 0.03 0.04 -0.08 0.04 0.15 -0.13 -0.05 0.15 -0.10 -0.05 0.04 -0.10 -0.13 -0.11 -0.09 -0.18 0.18 -0.08 -0.10 0.06 0.03 0.25 -0.05 -0.05 -0.21 0.06 -0.07 -0.15 -0.00 0.13 -0.10 0.09 0.04 0.01 0.15 -0.17 -0.18 -0.14 0.16 -0.03 -0.12 0.05 0.07 -0.30 0.11 0.01 -0.01 0.01 -0.00 -0.24 -0.06 0.22 0.02 0.01 0.01 -0.33 -0.06 -0.12 0.12 -0.02 0.03 0.08 0.11 0.00 0.06 0.08 0.02 0.01 -0.02 0.00 0.04 -0.05 -0.04 0.02 -0.09 -0.02 0.21 -0.11 0.05 0.06 -0.09 -0.00 0.08 -0.08 0.01 0.02 0.08 -0.02 -0.02 0.09 0.04 -0.14 0.09 -0.08 -0.13 0.09 -0.03 -0.21 0.06 -0.07 -0.13 0.07 -0.01 -0.27 -0.12 0.04 -0.15 0.21 0.19 0.01 0.01 -0.07 0.00 -0.07 -0.01 -0.00 -0.07 0.09 -0.03 -0.10 -0.04 -0.05 -0.10 -0.10 0.12 -0.10 0.05 0.01 -0.05 0.21 -0.01 -0.01 -0.05 0.10 -0.08 0.09 -0.01 0.06 -0.05 -0.05 -0.03 0.08 -0.12 -0.01 -0.05 -0.03 0.23 -0.02 -0.10 0.00 0.11 -0.11 0.18 -0.00 0.00 0.01 0.09 0.01 -0.01 -0.01 0.01 0.32 -0.05 -0.01 0.01 0.04 0.29 -0.12 0.01 -0.02 -0.03 -0.02 -0.02 0.04 0.03 -0.05 0.04 -0.07 -0.07 0.00 0.04 -0.08 -0.03 -0.02 -0.09 -0.06 0.03 0.01 -0.07 -0.05 0.03 0.00 0.10 -0.03 -0.08 -0.02 -0.01 -0.03 -0.08 -0.02 -0.06 -0.00 0.06 -0.06 0.06 -0.02 -0.08 -0.12 0.23 -0.12 0.06 0.03 0.09 0.04 0.12 0.26 -0.01 -0.05 -0.01 -0.15 0.07 -0.02 -0.03 0.09 0.03 0.06 0.08 0.03 -0.07 0.08 0.07 -0.08 0.12 0.07 -0.02 -0.06 0.01 -0.05 0.08 0.03 -0.02 -0.03 -0.10 -0.06 0.08 0.10 0.10 -0.13 0.08 0.04 0.09 0.07 0.09 -0.02 0.16 -0.00 -0.31 0.06 0.07 0.01 0.02 0.15 -0.09 0.05 0.05 -0.07 -0.17 0.15 0.02 -0.02 -0.02 -0.22 -0.14 -0.01 -0.02 -0.03 0.04 -0.38 -0.27 -0.14 -0.03 0.02 0.08 -0.02 -0.09 0.08 0.01 -0.08 -0.07 0.06 0.00 0.06 0.04 0.03 -0.17 0.07 0.08 -0.01 -0.10 0.09 0.14 -0.00 0.08 0.31 0.02 0.09 -0.12 -0.00 -0.01 -0.15 0.02 0.02 0.04 0.00 -0.02 0.00 0.05 0.01 0.05 -0.06 -0.01 0.00 0.02 -0.11 -0.01 0.01 -0.03 -0.04 0.10 -0.17 -0.06 -0.06 0.05 -0.13 -0.07 0.05 0.22 -0.17 -0.02 -0.21 -0.13 -0.09 -0.02 -0.13 -0.08 -0.07 -0.02 -0.04 -0.01 -0.09 0.06 0.21 0.11 0.02 0.09 0.24 0.10 -0.01 0.01 -0.04 -0.04 0.01 0.02 -0.03 -0.12 -0.12 -0.00 -0.09 -0.11 -0.04 -0.09 -0.08 0.01 0.03 0.11 -0.01 -0.07 -0.06 0.01 0.00 0.01 0.00 0.17 0.29 -0.03 0.04 0.03 0.19 -0.25 -0.13 -0.01 -0.10 0.01 0.01 -0.07 -0.11 -0.06 0.02 -0.08 0.10 0.01 -0.02 -0.09 -0.00 0.03 0.08 0.02 0.09 -0.05 -0.19 0.09 0.02 -0.11 0.03 -0.13 -0.05 0.12 0.03 0.08 0.02 0.16 0.11 0.03 -0.00 0.01 0.05 -0.04 0.08 0.03 0.17 -0.18 0.13 -0.05 0.02 -0.13 -0.05 -0.03 -0.29 -0.00 0.17 -0.07 0.12 0.03 0.03 0.04 -0.04 -0.03 -0.04 0.00 -0.02 0.10 -0.01 -0.06 -0.03 0.00 -0.06 -0.02 0.03 -0.03 -0.03 0.00 -0.01 -0.02 -0.02 -0.04 -0.03 0.26 0.09 -0.01 -0.05 -0.04 -0.08 0.09 0.08 0.02 -0.02 0.04 -0.03 -0.28 -0.18 -0.06 -0.02 0.03 0.09 -0.08 0.07 0.02 -0.14 -0.18 0.10 0.00 0.00 -0.00 -0.19 -0.09 0.01 0.09 -0.05 -0.27 -0.22 -0.16 -0.06 -0.02 -0.04 0.05 -0.03 -0.04 0.06 0.05 -0.05 0.01 0.04 -0.01 0.08 0.03 -0.04 -0.10 0.04 -0.02 0.05 -0.04 -0.02 0.06 -0.07 0.05 0.09 -0.03 0.09 -0.04 0.06 -0.03 -0.12 0.14 0.06 0.04 -0.07 0.09 -0.08 -0.05 0.03 0.13 -0.28 0.14 -0.08 -0.07 -0.03 -0.03 -0.24 -0.19 0.01 0.08 0.04 0.16 -0.02 -0.02 -0.06 -0.04 -0.02 0.01 0.01 -0.03 -0.03 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.05 -0.01 0.02 0.06 0.02 0.12 0.00 -0.03 -0.02 -0.13 -0.07 0.06 -0.05 -0.00 0.06 -0.00 0.04 0.05 0.16 0.16 -0.03 -0.12 0.02 0.08 0.10 0.13 -0.03 -0.09 -0.12 -0.01 0.09 0.08 -0.03 -0.00 -0.01 0.00 -0.29 -0.38 0.04 0.17 0.08 0.26 0.22 0.03 0.01 -0.06 -0.07 0.01 -0.06 0.02 -0.00 0.04 -0.02 0.03 -0.02 -0.04 -0.01 -0.04 -0.08 0.00 -0.03 -0.07 0.08 -0.03 -0.11 0.02 -0.05 0.01 0.02 -0.03 0.03 -0.00 0.12 -0.04 0.02 0.21 0.02 0.01 -0.05 0.09 -0.06 -0.12 -0.06 0.10 -0.19 0.14 -0.07 -0.09 0.08 -0.02 -0.21 -0.10 0.03 0.02 0.17 0.17 0.00 -0.04 -0.01 0.02 0.00 0.02 0.11 0.00 -0.01 0.10 0.09 -0.04 0.07 0.09 0.02 -0.10 0.06 -0.08 0.10 -0.02 -0.20 -0.03 0.02 0.00 -0.05 0.09 0.03 0.01 0.08 0.11 -0.04 -0.06 -0.01 -0.13 -0.10 0.05 0.15 0.18 0.10 -0.06 -0.18 -0.03 0.13 0.02 -0.02 -0.01 -0.07 -0.03 0.01 -0.01 -0.00 0.33 0.28 -0.08 0.23 -0.02 0.08 -0.27 -0.06 -0.12 -0.05 -0.07 -0.17 -0.04 0.02 0.18 0.04 -0.02 -0.07 0.00 -0.05 -0.04 -0.00 -0.05 0.19 -0.02 -0.05 -0.15 -0.05 -0.11 -0.60 -0.00 -0.04 -0.05 0.06 0.02 0.00 0.09 -0.02 -0.10 0.11 -0.04 -0.02 -0.03 -0.02 0.02 -0.15 -0.13 -0.05 0.06 -0.02 0.02 -0.08 0.10 0.06 -0.10 0.33 -0.02 -0.04 -0.04 -0.14 -0.00 0.07 0.07 -0.04 0.07 0.00 -0.11 0.10 -0.00 -0.05 0.00 -0.01 0.03 0.01 -0.05 0.04 -0.03 0.02 -0.11 0.09 0.03 0.02 -0.02 0.01 0.04 -0.03 -0.01 0.02 -0.04 -0.04 0.00 0.03 0.00 0.02 -0.02 -0.02 -0.01 -0.07 -0.04 -0.03 0.02 -0.02 -0.02 0.01 -0.01 -0.02 0.00 -0.02 -0.01 0.01 0.00 -0.04 0.01 0.02 0.16 -0.02 0.31 0.14 0.01 0.03 0.07 0.03 -0.10 0.06 -0.04 0.15 -0.01 -0.01 -0.02 0.05 0.03 -0.12 0.11 0.05 0.17 0.06 0.01 -0.50 0.01 0.06 -0.51 -0.02 0.05 0.01 -0.06 0.02 -0.01 -0.10 0.02 -0.04 -0.13 0.07 0.02 -0.05 0.06 -0.05 0.07 0.17 0.02 -0.13 0.06 -0.05 0.02 -0.09 -0.01 -0.08 -0.04 -0.03 0.13 -0.11 0.01 -0.00 -0.05 -0.02 0.02 -0.08 0.09 0.10 -0.14 -0.01 0.02 -0.03 -0.05 -0.11 -0.05 0.02 -0.03 0.05 -0.08 0.13 -0.10 0.09 -0.00 -0.00 0.01 -0.03 0.07 0.03 -0.03 0.05 0.08 -0.01 -0.00 0.01 -0.02 0.02 0.02 -0.05 0.05 0.08 0.01 -0.03 -0.01 0.03 -0.02 -0.00 0.02 -0.00 -0.01 0.01 -0.01 -0.00 0.04 -0.01 -0.03 -0.12 0.13 0.18 -0.07 0.01 -0.09 0.00 -0.01 -0.02 0.00 -0.03 0.08 -0.00 -0.02 -0.04 0.02 0.01 0.05 0.02 -0.01 -0.02 0.02 -0.01 0.07 -0.02 -0.00 -0.11 -0.02 0.04 0.02 -0.04 0.02 0.00 -0.01 -0.00 -0.08 -0.01 0.02 0.01 -0.02 0.02 -0.02 0.01 0.04 0.01 -0.06 0.03 -0.02 -0.00 -0.03 0.00 -0.05 0.01 -0.01 0.07 -0.06 -0.01 0.03 -0.00 0.01 0.03 0.01 0.01 0.06 -0.01 -0.02 0.11 -0.03 0.20 0.14 -0.02 0.23 -0.01 -0.01 0.15 0.00 -0.06 -0.57 -0.07 0.07 -0.06 -0.01 -0.06 -0.11 0.02 -0.02 -0.19 0.06 -0.07 -0.04 -0.03 0.02 0.01 0.15 -0.05 -0.22 0.02 -0.05 0.15 -0.01 0.03 0.07 -0.01 -0.03 0.16 -0.00 -0.00 -0.01 0.02 0.03 -0.02 0.02 0.07 0.29 -0.33 0.04 0.22 -0.02 -0.01 0.03 -0.02 0.01 -0.06 0.00 0.01 0.03 -0.02 -0.01 -0.09 -0.02 -0.01 0.08 -0.06 -0.04 -0.58 -0.01 -0.03 -0.01 0.01 0.01 0.06 -0.00 -0.01 -0.03 0.03 -0.00 0.06 0.04 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.00 0.00 -0.01 0.02 -0.01 -0.00 -0.05 0.01 -0.02 0.06 0.04 0.01 -0.01 -0.08 0.02 0.03 0.04 -0.02 0.02 -0.09 0.00 0.01 0.03 0.03 0.02 0.01 0.01 -0.00 0.05 0.08 0.12 0.60 -0.00 0.02 -0.00 -0.07 -0.05 -0.03 -0.01 0.01 -0.06 0.02 -0.04 -0.01 -0.01 0.03 0.01 0.08 0.04 -0.07 0.04 -0.01 0.07 -0.00 -0.01 0.04 0.03 0.00 0.08 0.00 -0.00 -0.00 0.01 -0.02 -0.03 0.00 -0.10 -0.37 0.03 0.05 0.07 -0.00 0.00 -0.05 0.00 -0.01 0.04 0.00 -0.00 0.03 0.01 0.00 -0.03 0.01 0.00 -0.03 0.06 0.04 0.75 -0.01 0.01 -0.02 -0.01 0.01 -0.03 -0.02 0.01 -0.00 -0.01 0.00 -0.02 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.01 0.02 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 0.03 -0.03 -0.00 0.02 0.01 0.04 0.00 -0.01 -0.02 -0.02 -0.00 -0.00 -0.05 0.01 -0.07 -0.07 0.00 -0.07 0.00 0.05 -0.06 0.04 0.05 0.48 0.01 -0.01 0.03 -0.07 -0.00 -0.06 -0.02 0.04 -0.07 0.04 -0.03 0.02 -0.06 0.03 0.03 0.05 0.02 -0.09 0.06 -0.06 0.11 0.03 -0.00 0.05 0.03 -0.08 0.12 0.00 -0.01 -0.01 0.05 -0.03 -0.08 -0.00 0.01 0.05 0.20 0.15 -0.05 0.00 -0.01 -0.08 0.00 0.01 0.00 0.01 0.01 0.08 -0.00 -0.02 -0.17 0.01 -0.00 0.04 0.06 0.04 0.85 0.01 -0.01 -0.06 0.02 0.01 0.04 -0.00 -0.01 -0.02 -0.01 -0.01 0.04 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.02 0.00 -0.02 0.02 -0.01 0.00 -0.01 0.02 0.01 -0.01 0.02 0.01 -0.01 0.03 0.01 -0.03 -0.02 -0.08 0.01 0.01 0.09 0.02 -0.02 -0.07 0.04 -0.01 0.07 0.05 -0.01 0.06 -0.00 -0.04 0.08 0.05 0.02 0.04 -0.01 0.02 -0.03 0.04 -0.01 0.05 0.01 -0.02 0.04 -0.04 -0.00 -0.02 0.05 -0.01 -0.02 -0.03 -0.00 0.06 -0.03 0.06 -0.07 -0.03 -0.01 -0.02 -0.01 0.08 -0.08 -0.00 0.00 0.00 -0.04 0.01 0.06 -0.03 -0.05 -0.24 -0.20 -0.11 0.07 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.03 0.01 0.01 0.06 0.01 -0.01 -0.03 0.01 -0.01 -0.02 0.01 -0.00 0.02 -0.00 0.01 -0.03 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.03 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.03 -0.01 -0.00 0.01 0.00 -0.00 0.02 0.00 0.01 -0.00 -0.00 0.01 0.01 0.12 0.00 -0.02 -0.07 0.04 -0.02 -0.05 0.05 -0.01 0.06 0.05 -0.01 0.07 -0.01 0.00 0.03 0.19 0.14 0.85 -0.03 0.00 -0.03 0.06 0.03 0.00 0.02 -0.03 0.02 -0.02 0.01 -0.00 0.02 -0.03 -0.01 -0.02 -0.07 0.02 -0.05 0.01 -0.06 -0.00 0.01 -0.02 -0.03 0.02 -0.06 -0.00 0.00 0.00 -0.00 0.04 0.04 0.02 0.08 0.28 -0.24 -0.05 0.04 0.02 0.02 0.02 0.02 0.02 -0.08 -0.01 0.03 0.16 -0.03 0.01 -0.07 -0.02 0.01 0.03 -0.04 -0.02 -0.09 0.04 -0.00 0.07 0.02 -0.01 -0.03 0.01 -0.02 0.01 -0.03 -0.05 -0.03 0.01 -0.03 -0.06 0.02 -0.01 -0.01 0.03 -0.04 0.07 -0.06 0.06 -0.01 0.02 0.01 -0.03 0.01 -0.16 0.03 -0.02 0.11 0.11 -0.02 -0.04 -0.02 0.02 0.02 0.04 -0.02 0.02 -0.02 -0.02 0.03 -0.01 -0.02 0.04 -0.03 0.00 0.00 0.00 -0.04 -0.01 -0.02 0.01 0.00 0.01 0.03 0.01 -0.01 -0.01 -0.01 -0.03 -0.02 -0.03 -0.01 0.02 0.03 -0.01 -0.06 -0.07 -0.03 -0.00 -0.02 0.02 -0.02 -0.02 0.01 0.09 0.10 0.01 -0.00 0.00 -0.00 0.01 0.02 -0.01 0.10 0.23 0.86 -0.05 -0.03 -0.01 0.01 -0.10 0.01 -0.06 -0.01 -0.09 0.03 -0.09 -0.04 0.14 -0.04 0.00 0.20 -0.07 -0.02 0.23 0.01 -0.07 -0.03 -0.04 0.19 -0.01 0.03 0.02 0.00 0.05 -0.01 -0.06 -0.04 0.16 -0.06 -0.01 -0.06 -0.06 0.07 0.02 -0.29 -0.02 -0.34 0.31 -0.06 0.02 -0.07 0.21 0.08 0.10 0.37 0.03 -0.13 0.09 -0.13 -0.12 -0.06 -0.02 -0.07 -0.01 -0.01 0.01 -0.01 0.02 0.00 -0.02 -0.01 -0.03 -0.02 0.01 -0.01 0.03 -0.05 0.03 0.02 -0.06 0.01 0.02 0.01 0.07 0.07 -0.03 -0.03 -0.01 -0.05 -0.04 -0.06 0.01 0.03 0.07 -0.00 -0.13 -0.13 -0.05 0.07 -0.01 0.06 -0.02 -0.07 0.02 0.20 0.14 0.04 0.00 -0.00 -0.00 0.03 -0.04 -0.05 -0.05 0.04 0.09 -0.15 -0.01 -0.05 -0.00 0.03 -0.02 0.03 -0.01 0.12 -0.02 0.02 -0.22 -0.04 0.01 -0.00 -0.07 0.02 -0.01 -0.07 -0.00 0.21 0.00 0.01 -0.22 0.02 0.02 0.16 -0.01 -0.02 -0.04 0.07 0.09 0.39 0.00 -0.04 -0.15 0.01 -0.01 -0.03 0.08 -0.01 0.17 -0.13 0.16 -0.04 0.02 -0.08 -0.00 -0.06 0.01 -0.03 0.10 -0.13 -0.03 0.03 -0.02 -0.16 0.02 -0.01 -0.13 -0.01 0.02 0.04 -0.02 0.03 -0.02 -0.01 0.04 -0.06 0.01 -0.03 0.02 -0.05 -0.03 -0.02 0.01 0.00 0.01 -0.02 -0.03 0.02 -0.02 0.01 0.02 0.00 -0.02 -0.03 0.01 0.03 -0.00 -0.01 0.06 0.02 -0.02 -0.01 0.01 -0.02 -0.01 0.01 0.05 0.11 0.00 0.00 -0.00 -0.00 0.02 0.05 -0.00 0.09 0.13 0.61 0.11 -0.03 0.00 -0.06 -0.03 0.00 -0.05 -0.04 -0.08 0.05 -0.02 0.09 0.03 -0.04 -0.03 0.02 -0.01 0.01 0.05 0.05 -0.06 -0.09 0.02 0.19 -0.05 -0.01 0.01 -0.01 0.04 -0.01 0.06 0.11 -0.01 -0.05 0.01 -0.06 -0.02 -0.02 0.05 -0.10 0.01 -0.24 0.29 -0.11 0.06 -0.02 -0.02 0.05 0.22 0.18 -0.01 -0.08 -0.17 -0.20 0.08 0.09 -0.08 -0.01 0.01 0.02 0.01 -0.03 -0.01 0.05 -0.11 0.02 0.08 -0.12 0.04 0.00 -0.03 0.00 0.07 0.05 0.03 -0.02 -0.00 -0.02 -0.10 -0.05 0.02 -0.00 0.05 0.07 0.09 0.09 -0.02 -0.06 -0.02 0.03 0.09 0.19 0.08 -0.02 -0.00 -0.03 0.05 0.06 -0.01 -0.23 -0.21 -0.00 0.00 -0.00 -0.00 -0.07 -0.11 0.00 0.03 0.04 0.47 0.21 0.11 0.05 -0.01 -0.08 0.03 -0.04 -0.03 -0.04 -0.03 -0.02 0.08 0.02 0.03 -0.14 0.07 -0.04 0.02 0.06 -0.06 -0.06 -0.05 -0.05 -0.08 0.06 0.15 0.26 -0.09 0.01 -0.06 -0.06 -0.08 -0.05 -0.03 -0.01 0.03 -0.02 0.06 -0.02 -0.07 0.03 -0.08 0.02 0.01 -0.02 0.01 0.07 0.00 0.01 -0.03 0.03 0.06 0.11 0.08 0.10 -0.07 0.11 0.12 -0.05 -0.25 0.02 0.02 0.06 -0.12 0.15 -0.02 -0.14 0.15 -0.11 -0.04 -0.04 0.08 -0.11 -0.16 -0.14 0.01 -0.03 0.00 0.01 -0.04 0.01 0.07 -0.03 -0.03 0.05 0.03 0.01 -0.03 -0.11 -0.02 0.02 -0.09 -0.03 -0.02 0.06 -0.04 0.02 0.11 -0.02 -0.36 -0.38 0.00 -0.00 0.01 0.00 -0.23 -0.21 0.07 -0.04 0.03 0.02 0.23 0.03 0.07 0.01 0.06 0.02 0.03 0.03 -0.03 0.04 0.02 0.09 -0.04 -0.06 -0.17 -0.06 0.04 0.03 -0.06 0.07 -0.02 0.03 0.02 -0.14 0.02 -0.05 0.33 0.09 -0.03 -0.08 0.03 0.04 -0.11 0.03 0.01 0.01 0.03 -0.07 0.04 0.05 -0.04 0.04 0.02 -0.06 0.04 -0.00 -0.05 -0.01 0.04 -0.04 -0.01 -0.11 -0.03 -0.03 -0.10 0.12 0.14 -0.19 -0.03 -0.26 0.00 0.00 0.09 0.13 -0.17 0.03 0.18 -0.18 0.18 0.01 0.06 -0.12 0.08 0.12 -0.16 -0.02 0.02 -0.01 0.01 0.07 -0.04 -0.04 0.01 0.01 -0.04 0.01 0.06 0.03 0.06 0.00 -0.03 -0.02 0.00 0.03 -0.07 0.04 -0.02 -0.08 0.00 0.36 0.26 -0.01 0.00 -0.00 -0.00 0.19 0.18 -0.07 0.03 -0.04 -0.09 -0.20 0.09 -0.07 -0.03 -0.01 -0.01 -0.02 -0.03 -0.02 0.03 -0.00 0.03 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.01 0.02 -0.02 -0.05 0.01 0.09 -0.03 0.01 0.01 -0.03 0.03 -0.00 0.04 0.05 -0.03 -0.02 0.02 0.00 -0.02 0.02 0.02 -0.04 0.06 -0.13 0.14 -0.05 0.02 -0.01 -0.03 0.02 0.10 0.09 -0.01 0.00 -0.12 -0.10 0.09 0.03 -0.00 0.05 -0.04 -0.00 0.01 -0.03 0.02 -0.06 0.12 -0.02 -0.15 0.11 0.00 0.08 0.04 0.02 -0.05 -0.12 0.03 0.00 -0.02 0.00 -0.04 -0.04 0.00 -0.01 -0.06 -0.01 0.02 0.02 0.02 0.09 0.02 -0.03 0.22 0.11 -0.03 -0.07 -0.08 0.01 -0.08 -0.03 -0.01 0.36 0.38 -0.05 -0.00 0.00 0.00 0.25 0.44 0.00 -0.02 -0.06 -0.05 -0.30 -0.25 -0.07 -0.02 -0.03 -0.00 -0.02 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.02 0.00 -0.01 -0.01 0.00 -0.01 -0.03 -0.01 -0.02 -0.02 0.03 0.03 0.05 -0.01 -0.03 -0.00 0.00 0.02 0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.02 0.02 -0.00 0.00 -0.00 -0.01 0.01 0.02 0.01 -0.00 0.02 -0.03 -0.02 0.05 0.01 0.00 0.06 0.02 -0.01 0.03 0.01 -0.02 -0.00 -0.06 0.01 0.05 -0.05 -0.04 -0.13 -0.05 0.02 0.04 0.01 -0.03 -0.01 0.01 -0.00 0.04 0.04 0.01 0.02 0.02 0.01 -0.00 -0.01 -0.01 0.02 0.02 -0.01 -0.34 -0.25 0.04 -0.04 -0.04 0.01 -0.06 -0.05 0.01 0.23 0.31 -0.03 0.00 0.00 -0.00 0.17 0.27 -0.00 0.00 -0.03 -0.06 0.57 0.39 0.13 0.01 0.02 -0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 0.02 0.01 0.03 0.01 0.04 -0.01 -0.03 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.04 0.00 -0.00 -0.02 0.01 -0.01 -0.00 0.01 -0.02 0.03 -0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.03 -0.00 -0.00 -0.02 0.01 0.01 -0.07 -0.01 -0.10 -0.05 -0.01 0.06 0.04 -0.03 -0.03 0.03 0.07 0.05 -0.01 0.06 0.25 -0.10 0.08 -0.08 0.06 -0.00 -0.01 -0.01 -0.03 -0.03 -0.07 0.01 -0.05 0.16 -0.11 -0.03 -0.01 0.15 0.29 0.10 -0.17 -0.11 0.05 -0.33 -0.04 0.04 -0.06 0.10 -0.07 0.11 -0.12 0.34 -0.42 -0.00 -0.01 0.01 0.01 -0.17 -0.02 -0.07 0.01 0.04 0.04 0.15 0.38 0.03 0.02 0.02 -0.16 0.02 0.00 0.04 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.02 0.01 0.04 -0.04 -0.02 -0.13 0.11 0.03 0.92 -0.01 -0.01 0.03 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.02 0.02 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 0.02 -0.01 -0.03 -0.04 0.02 -0.04 0.12 -0.03 0.00 -0.14 -0.10 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.02 -0.01 0.00 0.00 0.05 -0.01 -0.03 0.05 -0.04 -0.02 -0.01 0.02 0.01 -0.03 0.00 0.00 -0.00 0.00 0.02 0.00 0.01 0.01 0.01 -0.02 -0.03 -0.03 -0.01 -0.01 -0.00 0.00 -0.09 -0.08 -0.01 0.02 0.02 0.00 0.01 -0.00 0.01 -0.05 -0.03 0.01 0.00 0.00 -0.00 -0.04 -0.08 0.00 0.02 0.02 -0.00 0.02 -0.02 0.01 0.03 0.06 0.09 0.02 0.00 -0.05 0.05 -0.00 0.01 -0.00 -0.06 -0.00 -0.04 0.02 -0.02 -0.02 0.06 0.06 0.02 0.01 -0.49 -0.08 -0.09 0.01 0.03 0.02 -0.00 0.04 0.07 -0.03 0.02 0.06 -0.03 -0.01 0.00 0.05 -0.05 0.05 -0.16 0.21 -0.06 0.05 -0.05 -0.08 0.03 0.14 0.11 -0.03 -0.17 -0.18 -0.18 -0.04 0.02 0.01 -0.05 -0.03 0.02 0.06 -0.05 -0.01 0.03 0.19 -0.03 -0.12 0.19 -0.16 -0.06 -0.04 0.07 0.04 -0.09 0.04 0.00 -0.01 0.01 0.04 -0.00 0.02 0.05 0.05 -0.06 -0.07 -0.08 -0.04 -0.03 -0.02 -0.00 -0.37 -0.31 -0.03 0.04 0.03 0.01 0.03 -0.02 0.02 -0.08 -0.04 0.03 0.00 0.00 0.00 -0.06 -0.16 0.01 0.03 0.02 0.01 0.13 -0.06 0.03 -0.04 0.03 -0.02 0.02 0.01 0.04 0.04 -0.03 -0.01 0.02 -0.07 -0.00 0.00 0.02 0.00 0.05 0.13 -0.02 -0.09 0.10 0.13 -0.11 -0.10 0.03 0.03 0.03 -0.01 0.04 -0.00 -0.01 -0.13 -0.13 0.05 -0.06 0.05 -0.07 -0.05 0.05 -0.05 -0.16 -0.08 -0.06 0.16 0.11 -0.03 0.02 -0.21 0.07 0.40 0.26 0.30 0.04 0.01 -0.00 -0.06 -0.02 0.00 -0.05 0.02 -0.00 0.09 0.07 0.00 0.14 0.08 -0.02 0.01 -0.03 0.00 -0.06 0.01 0.03 -0.01 -0.00 -0.00 -0.04 -0.03 0.01 0.06 0.07 -0.00 0.04 0.04 -0.02 -0.03 -0.00 0.01 -0.37 -0.27 0.03 -0.02 -0.01 -0.01 -0.00 -0.01 0.01 0.02 0.11 -0.01 0.00 -0.00 -0.00 0.06 0.08 0.01 -0.11 -0.28 0.07 0.04 -0.09 -0.03 0.00 0.03 -0.00 0.02 0.00 0.00 0.02 -0.01 0.00 0.00 -0.03 -0.00 -0.01 0.01 -0.00 0.00 0.04 -0.00 0.01 0.03 0.01 -0.05 -0.05 0.01 0.02 0.01 -0.00 0.01 0.00 -0.01 -0.03 -0.02 0.01 -0.02 0.02 -0.01 -0.04 0.03 -0.05 -0.01 -0.03 -0.01 0.03 0.01 -0.00 0.03 -0.02 0.01 0.08 0.03 0.04 -0.01 -0.01 0.01 -0.03 -0.01 0.00 0.00 -0.00 -0.01 0.04 0.07 0.00 0.03 0.07 -0.05 -0.10 -0.04 0.01 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.10 0.04 0.00 -0.12 -0.11 0.00 -0.01 -0.01 -0.01 0.04 0.02 -0.01 0.62 0.54 -0.04 0.01 0.01 0.01 0.01 0.01 0.00 -0.05 -0.05 0.02 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.02 -0.07 0.03 0.37 0.24 0.08 -0.08 -0.06 -0.01 -0.03 0.05 0.03 -0.00 0.01 -0.01 0.03 -0.02 -0.00 0.07 -0.02 0.00 0.12 0.09 -0.02 -0.14 0.02 0.10 -0.01 -0.02 0.01 0.02 -0.00 -0.00 -0.05 0.04 0.01 -0.03 0.03 -0.02 0.13 -0.14 0.03 0.29 -0.10 0.36 -0.21 0.06 0.02 -0.02 0.07 -0.06 -0.26 -0.14 -0.00 -0.23 0.27 0.13 -0.06 0.08 -0.01 -0.06 -0.02 0.01 0.11 -0.05 -0.00 -0.04 0.04 -0.06 -0.18 0.04 -0.28 -0.01 -0.03 0.13 0.17 0.02 -0.05 -0.01 -0.02 -0.01 0.00 -0.02 -0.00 -0.02 0.02 -0.07 0.03 0.15 0.02 -0.03 0.02 0.02 0.04 0.04 -0.08 -0.03 -0.04 -0.03 0.07 -0.06 0.04 0.02 0.11 -0.03 0.00 -0.00 -0.00 0.15 0.03 0.03 -0.05 0.19 -0.01 0.03 0.04 0.17 0.08 0.04 0.01 0.03 -0.05 -0.02 -0.02 -0.02 0.00 -0.04 0.03 0.00 -0.08 0.03 0.00 -0.14 -0.10 0.02 0.17 -0.05 -0.06 0.06 0.04 -0.01 0.00 -0.02 0.00 0.03 -0.06 0.01 0.04 -0.06 0.02 -0.14 0.10 -0.04 -0.32 -0.00 -0.27 0.11 -0.06 -0.03 0.06 -0.02 0.05 0.23 0.07 0.03 0.31 -0.15 -0.02 -0.08 0.00 -0.01 -0.03 0.02 0.01 0.09 0.01 -0.00 -0.07 -0.07 -0.09 -0.11 -0.07 -0.33 0.01 0.01 0.13 0.16 0.11 -0.08 0.00 -0.02 -0.01 -0.01 0.00 -0.02 -0.02 0.01 -0.09 -0.02 0.16 0.10 -0.03 0.02 0.03 0.07 -0.01 -0.11 -0.02 -0.02 -0.05 0.09 -0.07 0.04 0.03 0.04 -0.06 0.00 -0.00 -0.00 0.13 -0.02 0.05 0.07 -0.21 0.02 -0.20 0.12 0.24 0.11 0.07 -0.00 0.03 -0.02 -0.03 -0.06 -0.06 0.01 -0.02 -0.00 -0.00 0.02 0.02 -0.00 -0.01 -0.06 0.01 0.17 0.02 -0.04 -0.04 -0.03 0.01 0.00 0.01 -0.00 -0.10 -0.11 0.03 0.05 0.04 -0.00 0.04 0.05 -0.00 0.02 0.01 0.04 0.07 0.12 -0.00 -0.11 -0.02 0.02 -0.11 0.18 -0.04 -0.22 -0.10 -0.15 0.00 -0.10 0.00 0.01 -0.06 0.01 -0.12 0.02 -0.00 0.10 0.08 0.08 0.30 0.10 0.29 0.01 -0.09 -0.07 -0.19 -0.08 0.07 -0.01 -0.01 -0.01 0.00 -0.04 0.01 -0.02 0.04 -0.07 0.12 0.21 0.04 -0.05 0.04 0.03 -0.07 0.05 -0.06 -0.08 -0.03 -0.07 0.06 -0.07 0.06 -0.06 0.16 -0.05 0.00 -0.00 -0.00 0.24 0.20 0.09 0.01 0.21 -0.07 0.32 -0.16 -0.16 -0.07 -0.07 0.00 -0.03 0.00 0.01 0.01 0.07 -0.00 0.00 0.06 -0.00 -0.00 -0.02 0.00 -0.00 -0.03 -0.00 -0.12 -0.02 0.02 0.09 0.07 -0.02 -0.01 -0.03 0.01 0.06 0.06 -0.02 -0.01 -0.02 -0.00 -0.04 -0.03 -0.00 -0.06 -0.02 -0.05 -0.02 -0.07 -0.00 0.06 -0.01 -0.00 0.11 -0.08 0.02 0.17 -0.00 0.06 -0.03 0.06 -0.02 -0.01 0.01 0.01 0.03 -0.05 -0.01 -0.05 0.05 0.13 -0.16 0.03 0.60 0.00 -0.05 -0.13 0.02 -0.07 0.03 0.00 0.00 -0.01 0.04 -0.02 0.05 -0.02 0.01 -0.11 -0.11 0.02 0.06 -0.02 0.00 -0.04 -0.07 0.13 -0.09 0.00 0.02 -0.02 0.10 -0.07 0.07 -0.09 0.06 0.01 -0.00 0.00 0.00 0.05 -0.14 0.10 0.02 -0.13 0.05 0.28 -0.32 -0.33 0.02 0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.02 -0.01 0.00 0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.05 -0.05 0.00 -0.02 -0.01 -0.00 0.01 0.02 0.00 0.01 0.00 0.01 0.02 0.02 0.01 -0.02 0.02 0.00 -0.02 0.01 -0.00 0.04 -0.00 -0.00 -0.03 -0.00 0.01 -0.08 -0.01 0.06 -0.00 0.01 -0.01 0.07 0.05 -0.02 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 0.00 0.02 0.04 0.01 -0.04 0.03 -0.03 -0.08 -0.11 0.09 0.05 0.07 0.07 0.04 -0.06 -0.09 0.02 -0.46 -0.41 0.12 -0.00 0.00 0.00 0.42 0.58 -0.03 0.02 0.01 0.04 0.00 -0.03 -0.03 -0.08 -0.04 0.00 -0.02 0.05 0.01 0.04 0.07 -0.00 0.01 0.01 -0.00 0.04 -0.03 -0.00 0.07 0.05 -0.01 -0.15 0.02 0.01 -0.02 -0.01 0.00 -0.01 0.00 0.00 0.05 0.03 -0.01 -0.05 -0.00 0.00 0.05 0.04 0.01 0.18 0.19 -0.00 0.06 0.02 0.01 -0.02 -0.06 -0.02 -0.02 -0.02 -0.03 -0.08 -0.06 -0.04 0.09 -0.07 -0.03 0.07 -0.01 -0.00 -0.12 0.01 0.01 0.11 -0.04 -0.08 0.30 -0.02 -0.20 -0.01 0.04 0.03 -0.22 -0.12 0.04 0.00 0.00 -0.01 0.01 0.04 -0.00 -0.01 0.00 -0.09 -0.14 -0.05 0.20 -0.02 0.02 0.03 0.08 -0.10 -0.13 0.02 0.09 -0.08 0.02 -0.10 0.04 -0.22 -0.37 -0.07 0.00 -0.00 -0.00 0.25 0.27 0.13 -0.04 -0.04 0.08 -0.22 0.19 0.15 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.02 0.01 0.00 0.02 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.00 0.01 0.01 -0.01 -0.02 -0.02 0.01 -0.06 -0.06 -0.02 -0.02 -0.03 0.00 0.02 0.01 -0.00 0.04 -0.03 0.01 0.04 0.02 0.03 -0.03 0.02 -0.00 -0.02 0.00 0.00 0.02 -0.02 -0.00 -0.03 0.04 0.05 -0.10 0.04 0.12 0.01 -0.05 -0.01 0.03 -0.01 0.00 -0.00 -0.00 -0.00 0.03 -0.02 -0.04 0.02 -0.02 0.02 0.01 -0.00 0.02 -0.07 0.13 0.27 0.37 -0.46 -0.10 0.04 0.02 -0.08 -0.11 0.02 -0.11 0.12 -0.40 -0.15 0.01 -0.01 -0.01 0.10 0.24 -0.36 0.02 -0.02 0.01 0.15 -0.16 -0.09 -0.05 -0.07 0.01 -0.04 0.00 -0.02 -0.09 0.14 0.01 -0.05 0.17 -0.01 0.12 -0.05 -0.00 0.06 -0.22 0.01 -0.32 0.20 -0.01 0.11 0.05 -0.02 0.02 -0.06 0.01 0.00 0.01 -0.01 0.07 0.01 0.00 -0.07 -0.03 -0.04 -0.14 -0.14 0.01 -0.09 0.01 -0.05 0.05 -0.05 0.06 0.16 0.08 0.03 0.25 -0.21 -0.06 -0.07 0.03 0.02 -0.13 -0.08 0.02 -0.12 -0.10 0.03 0.18 0.10 -0.04 0.09 0.11 -0.40 -0.00 -0.02 0.04 -0.19 -0.18 0.08 -0.00 -0.01 0.00 -0.00 -0.01 -0.03 0.01 0.01 0.07 0.03 0.07 -0.10 0.01 -0.01 -0.03 -0.07 0.07 0.10 0.03 -0.03 0.07 -0.02 0.01 -0.03 0.02 -0.01 0.07 -0.00 0.00 0.00 0.03 0.03 -0.16 0.07 -0.04 -0.01 -0.05 0.11 0.12 -0.02 -0.03 0.02 -0.02 0.04 -0.09 0.04 0.04 0.01 0.01 -0.02 0.00 -0.00 0.01 -0.00 0.04 0.12 0.01 0.06 -0.12 -0.08 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.02 -0.02 -0.01 -0.05 -0.05 0.06 0.06 0.01 -0.16 0.28 0.03 0.34 -0.28 0.32 -0.17 -0.01 -0.02 0.16 -0.13 0.47 0.00 0.14 -0.33 -0.24 -0.01 0.00 -0.00 -0.01 0.01 0.00 0.03 0.02 -0.01 -0.03 -0.01 0.01 -0.05 -0.01 0.05 0.00 -0.00 -0.00 0.07 0.07 -0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.02 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.05 -0.09 0.05 0.02 -0.04 -0.03 -0.05 -0.05 -0.00 -0.02 0.07 0.04 0.04 0.07 -0.02 0.01 0.03 -0.00 -0.01 -0.02 0.00 0.02 0.06 -0.02 0.05 -0.16 0.03 0.05 0.03 -0.01 0.01 -0.02 0.00 0.07 -0.08 0.00 -0.06 -0.12 0.03 0.11 0.22 0.05 0.29 0.52 -0.20 0.38 0.01 0.07 -0.10 -0.11 -0.11 -0.09 -0.17 -0.09 -0.22 -0.01 -0.02 -0.07 -0.03 0.03 -0.09 0.01 0.01 0.03 0.01 -0.01 -0.02 0.02 0.03 -0.11 0.01 -0.02 0.01 -0.02 0.00 0.10 0.11 -0.03 -0.00 -0.00 0.00 0.00 -0.02 -0.02 0.01 -0.00 0.04 0.04 0.07 -0.08 0.00 0.00 0.00 -0.01 0.02 0.05 0.02 -0.02 0.04 -0.02 0.01 -0.02 -0.00 -0.01 0.05 0.00 -0.00 -0.00 0.03 0.02 -0.17 -0.03 -0.24 0.09 0.05 -0.05 -0.02 -0.02 0.10 -0.00 0.02 0.02 -0.00 -0.04 0.04 0.00 -0.07 0.03 -0.01 0.11 -0.09 -0.00 -0.03 -0.45 0.02 -0.51 0.61 0.00 -0.07 -0.08 0.02 0.03 -0.02 -0.00 0.00 -0.02 0.00 0.02 -0.02 0.01 0.00 0.04 -0.01 0.00 0.04 -0.02 0.04 0.02 -0.00 -0.01 -0.03 0.00 0.01 0.02 -0.01 -0.03 -0.05 -0.04 0.01 -0.01 -0.00 0.00 0.03 -0.01 0.06 0.05 -0.02 -0.07 -0.03 -0.00 -0.03 -0.03 0.15 -0.01 0.01 -0.00 0.14 0.16 -0.05 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.02 0.03 -0.03 0.02 0.00 -0.00 0.00 0.03 -0.03 -0.03 -0.01 0.01 -0.02 -0.00 0.00 0.01 -0.01 0.02 -0.02 -0.00 0.00 0.00 -0.02 0.01 0.08 0.02 -0.04 0.00 0.03 -0.04 -0.04 -0.04 -0.12 0.00 0.00 0.08 0.02 -0.02 0.14 -0.01 -0.04 -0.01 0.00 0.07 0.06 -0.01 0.30 0.64 -0.04 0.06 -0.24 0.02 -0.07 -0.07 0.02 0.03 -0.01 -0.00 -0.05 -0.05 0.01 0.05 0.04 -0.02 -0.07 -0.01 0.01 -0.18 -0.08 -0.10 0.04 -0.05 0.01 0.04 -0.08 -0.01 0.24 -0.11 0.01 0.13 -0.11 0.01 -0.02 -0.07 0.01 -0.01 -0.01 0.00 0.03 0.05 -0.01 -0.04 -0.01 -0.03 0.09 -0.01 0.17 -0.02 0.02 0.01 0.12 0.17 -0.05 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.02 0.11 -0.04 0.01 0.00 -0.01 -0.00 0.04 -0.04 -0.04 -0.03 0.00 -0.03 -0.01 0.01 0.01 -0.01 0.05 -0.04 -0.00 0.00 0.00 -0.04 0.06 0.20 0.03 0.16 -0.06 0.05 -0.04 -0.03 0.03 0.01 0.00 -0.03 -0.05 -0.01 -0.02 -0.04 0.01 0.03 0.05 -0.01 -0.03 0.00 0.00 -0.11 -0.20 0.01 0.11 -0.08 -0.01 0.08 0.06 -0.02 0.00 -0.01 0.00 0.02 0.04 -0.01 -0.01 -0.04 0.01 0.04 0.02 0.00 0.08 0.04 0.03 -0.01 -0.01 0.01 -0.02 0.03 -0.00 -0.14 0.03 -0.01 0.00 0.03 0.01 -0.03 0.05 -0.01 -0.14 -0.01 0.02 -0.02 -0.06 0.02 0.06 0.02 -0.11 -0.01 -0.00 0.26 -0.05 0.07 0.04 0.05 0.03 0.02 -0.00 0.00 0.00 -0.04 0.04 0.08 -0.01 0.00 -0.07 0.20 -0.16 0.04 0.01 -0.02 0.00 0.13 -0.14 -0.12 -0.03 0.02 -0.09 -0.04 0.03 0.04 0.09 -0.04 -0.14 -0.00 0.00 -0.00 -0.15 0.15 0.67 0.01 -0.17 0.05 0.12 -0.11 -0.08 -0.02 0.00 0.00 0.01 0.02 0.00 0.02 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -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 -0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.05 -0.00 0.01 -0.03 -0.00 -0.01 -0.02 -0.02 0.00 0.00 0.02 -0.00 0.01 0.01 -0.01 -0.01 0.03 0.10 -0.30 0.03 -0.35 0.03 -0.04 -0.08 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.03 -0.04 -0.07 -0.02 0.04 0.02 0.03 -0.02 0.02 -0.01 0.01 0.02 -0.25 0.28 0.10 0.00 -0.00 -0.04 -0.01 0.01 0.03 0.34 -0.31 -0.16 0.00 -0.00 -0.00 -0.07 0.12 0.50 -0.00 0.00 0.00 -0.12 0.25 0.09 -0.14 0.06 0.00 0.06 0.14 0.03 0.16 -0.03 -0.02 0.13 -0.04 0.00 -0.11 -0.10 0.01 -0.19 -0.27 0.02 -0.16 0.07 0.01 0.06 0.06 -0.01 -0.03 0.02 -0.00 0.02 -0.03 0.01 -0.04 0.10 -0.00 -0.09 -0.07 -0.06 0.08 0.10 0.01 -0.03 0.15 -0.08 0.07 -0.03 0.03 0.54 -0.08 0.07 -0.35 0.05 -0.05 -0.12 -0.13 0.03 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.05 0.24 0.00 0.20 -0.00 0.01 0.02 -0.09 -0.11 0.04 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.10 0.03 -0.02 0.00 -0.00 -0.00 0.03 -0.03 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.09 0.11 0.03 -0.00 0.00 0.00 0.01 0.02 -0.04 -0.06 0.19 -0.05 0.00 0.01 0.03 -0.02 0.05 0.00 -0.06 0.05 -0.03 0.05 0.03 -0.00 0.04 0.00 -0.00 0.00 -0.04 0.00 -0.06 -0.21 0.01 0.17 -0.13 -0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.02 0.02 -0.02 0.07 -0.03 -0.03 -0.05 -0.05 -0.22 0.09 -0.03 -0.01 -0.02 -0.32 0.02 -0.04 0.70 -0.21 0.07 -0.03 -0.03 0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.02 0.02 -0.02 0.06 0.01 0.18 0.01 -0.01 -0.01 -0.02 -0.04 0.01 0.00 0.00 0.00 0.02 -0.03 -0.01 0.00 -0.00 0.01 0.03 -0.00 0.01 -0.00 0.01 0.02 -0.08 0.08 0.04 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.07 0.07 0.01 0.00 -0.00 -0.00 0.02 -0.01 -0.09 -0.04 0.17 -0.03 -0.11 0.20 0.12 0.02 -0.03 -0.00 0.02 -0.03 0.01 -0.03 -0.01 0.00 -0.03 0.01 0.00 0.00 0.03 -0.00 0.03 0.10 -0.01 -0.06 0.05 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 0.01 -0.02 0.01 0.00 0.01 -0.02 0.03 0.02 0.02 0.00 0.05 -0.03 0.01 0.01 0.01 0.05 0.01 0.01 -0.27 0.08 -0.03 -0.01 0.02 -0.01 -0.02 0.01 0.00 0.01 -0.01 0.00 -0.02 0.05 -0.06 -0.00 0.03 0.42 0.02 -0.03 -0.04 -0.02 -0.06 0.02 0.00 0.00 0.00 0.04 -0.08 -0.00 0.01 -0.01 0.00 0.04 -0.04 0.04 -0.01 0.02 0.04 -0.19 0.19 0.08 -0.02 0.02 -0.02 -0.00 -0.00 -0.01 -0.20 0.19 0.04 0.00 -0.00 -0.00 0.02 -0.05 -0.23 0.04 -0.15 0.03 -0.29 0.52 0.30 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.03 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.03 0.01 0.02 -0.03 0.00 0.01 -0.00 0.00 -0.03 -0.00 -0.10 0.41 0.00 0.53 -0.00 -0.02 0.07 -0.03 -0.06 0.02 0.00 0.01 0.01 0.01 -0.01 -0.06 -0.01 0.01 0.02 -0.08 0.05 -0.08 0.01 -0.01 0.02 -0.16 0.20 0.07 0.03 -0.01 0.02 -0.01 0.01 0.02 0.43 -0.41 -0.12 0.00 -0.00 -0.00 -0.04 0.05 0.23 -0.01 0.01 0.00 0.02 -0.09 0.04 0.01 0.05 -0.01 -0.09 0.01 0.04 -0.02 0.01 -0.00 0.03 0.02 -0.01 0.03 -0.01 -0.00 -0.04 -0.21 0.01 0.28 -0.21 0.01 -0.02 -0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.01 0.04 0.03 -0.01 -0.04 -0.13 -0.28 0.14 0.26 0.45 -0.08 -0.06 -0.00 -0.04 0.55 -0.22 0.06 0.10 -0.01 0.02 0.05 0.04 -0.01 -0.03 -0.02 0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.04 0.01 0.01 0.00 -0.00 -0.01 0.08 0.11 -0.03 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.01 -0.00 0.00 0.01 -0.03 0.03 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.03 -0.04 0.07 -0.02 -0.03 0.05 0.02 -0.01 -0.00 0.00 -0.03 -0.02 -0.00 -0.01 -0.01 0.00 0.02 0.04 -0.01 -0.00 0.01 -0.00 -0.07 -0.16 0.01 0.08 -0.09 -0.00 0.02 0.02 -0.01 0.01 -0.01 0.00 0.03 -0.02 0.00 -0.01 0.05 -0.03 -0.04 -0.03 0.01 0.18 0.26 -0.07 -0.18 -0.22 0.02 0.04 0.01 0.02 -0.03 0.04 0.01 -0.13 0.05 -0.01 0.14 -0.07 -0.00 -0.12 -0.09 0.03 -0.02 0.04 -0.00 -0.01 0.02 0.00 -0.01 0.03 -0.01 -0.01 0.01 0.01 0.37 0.59 -0.16 0.00 -0.00 -0.00 0.01 -0.00 -0.04 0.01 -0.02 -0.01 -0.03 -0.01 0.02 0.02 -0.01 0.04 -0.20 0.24 0.06 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.02 -0.02 -0.00 -0.00 -0.00 0.03 -0.03 -0.16 -0.02 0.13 -0.03 0.04 -0.07 -0.04 -0.03 0.06 -0.00 -0.09 0.02 0.01 -0.08 -0.02 0.01 0.02 0.05 -0.01 0.07 -0.01 -0.00 0.01 -0.20 0.01 0.40 -0.37 -0.01 -0.06 -0.06 0.02 0.02 -0.01 -0.00 -0.01 0.03 -0.00 0.05 -0.00 -0.02 -0.03 -0.01 -0.02 0.28 0.35 -0.04 -0.25 -0.33 0.00 0.05 -0.01 0.03 0.19 -0.01 0.04 -0.23 0.05 -0.02 -0.04 0.00 0.00 0.05 0.05 -0.01 0.02 -0.01 -0.00 -0.00 -0.02 -0.00 -0.02 -0.02 0.02 0.00 -0.00 0.00 -0.13 -0.20 0.06 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 -0.01 0.05 -0.05 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.10 -0.25 0.05 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 0.02 -0.00 -0.03 -0.07 0.01 0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.03 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.02 0.00 0.08 0.09 -0.01 0.02 0.02 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 -0.01 0.02 0.00 -0.01 0.02 -0.01 -0.03 -0.08 0.02 0.04 0.01 -0.01 -0.11 0.04 0.05 0.70 0.12 -0.18 0.04 -0.04 -0.05 0.06 0.02 -0.03 0.00 0.00 0.00 0.02 -0.02 -0.04 -0.03 0.05 0.07 -0.00 -0.02 0.02 -0.04 0.03 -0.08 0.30 -0.36 -0.04 0.02 -0.01 0.01 0.01 -0.01 -0.01 -0.13 0.10 0.06 0.00 -0.00 0.00 -0.04 0.03 0.28 -0.00 -0.01 0.01 -0.09 0.15 0.08 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -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 0.02 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.02 0.02 0.06 0.06 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.02 0.00 0.00 -0.06 0.03 -0.00 0.01 -0.01 0.00 0.03 -0.02 -0.01 -0.06 -0.01 0.05 0.53 0.05 -0.32 -0.02 0.05 0.01 -0.08 -0.18 0.03 -0.00 0.00 -0.00 -0.02 0.03 -0.05 0.02 -0.04 -0.04 0.05 -0.05 0.05 0.04 -0.03 0.08 -0.36 0.43 0.10 -0.02 0.02 -0.03 -0.01 0.01 0.00 -0.05 0.04 -0.02 -0.00 0.00 -0.00 0.02 -0.04 -0.26 0.03 -0.14 0.03 0.14 -0.23 -0.17 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.03 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.03 0.00 -0.01 0.01 -0.01 -0.02 -0.02 0.01 0.10 0.13 -0.03 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.02 0.01 0.01 0.00 0.02 0.01 -0.00 -0.04 0.01 0.01 0.01 -0.01 -0.04 -0.01 0.04 0.35 0.03 -0.29 -0.00 0.05 -0.13 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.05 -0.01 0.38 0.05 -0.08 -0.18 -0.03 0.06 -0.17 0.01 -0.01 0.07 0.00 0.03 -0.17 0.02 -0.02 0.00 -0.02 0.02 0.03 0.30 -0.28 -0.10 -0.00 0.00 -0.00 -0.00 0.01 -0.07 -0.02 0.08 -0.01 -0.24 0.47 0.13 0.09 -0.03 -0.01 -0.03 -0.03 0.01 0.01 0.02 -0.00 -0.06 -0.05 0.01 -0.01 0.02 -0.00 0.03 0.11 -0.01 -0.15 0.23 0.01 0.01 0.02 -0.01 -0.01 0.01 0.00 0.04 -0.03 0.00 -0.00 0.01 -0.02 -0.02 -0.06 -0.00 0.44 0.44 -0.00 -0.12 -0.12 0.00 -0.12 0.07 0.00 0.53 -0.09 0.09 0.34 -0.03 0.08 -0.03 0.01 0.00 0.02 -0.00 -0.00 -0.01 0.00 0.00 0.02 -0.00 -0.01 -0.10 -0.02 0.02 -0.00 0.00 0.01 -0.04 -0.05 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.02 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.08 -0.02 0.02 -0.03 -0.01 0.01 -0.02 0.00 -0.03 -0.03 -0.01 -0.01 0.01 0.00 -0.01 0.03 -0.00 0.02 0.04 -0.00 -0.04 -0.10 0.01 0.03 -0.04 -0.00 -0.03 -0.02 0.01 0.01 -0.01 -0.00 0.06 0.01 -0.01 -0.01 0.06 0.01 -0.09 -0.10 0.02 0.22 0.24 0.02 0.55 0.55 -0.02 0.05 0.03 -0.02 -0.38 0.00 -0.04 0.09 0.03 -0.00 -0.04 -0.06 0.01 0.03 0.00 -0.00 -0.00 0.03 -0.00 0.02 -0.01 -0.01 -0.16 -0.03 0.05 -0.00 -0.00 0.01 -0.03 -0.00 0.01 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 -0.01 0.01 -0.01 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 -0.01 0.03 -0.20 0.05 0.01 -0.01 0.00 -0.06 0.15 -0.00 0.07 0.16 -0.02 -0.08 -0.13 0.01 -0.08 -0.07 0.01 0.04 -0.16 0.01 0.32 0.52 -0.04 0.14 -0.03 -0.02 0.09 0.06 -0.02 -0.04 0.02 -0.00 -0.05 -0.11 0.03 0.05 -0.02 -0.00 -0.09 -0.03 0.01 0.22 0.35 -0.05 0.30 0.20 -0.00 0.03 -0.03 -0.01 -0.16 0.07 -0.04 0.16 -0.05 0.03 0.06 0.20 -0.04 -0.01 -0.06 0.01 -0.01 -0.03 0.01 0.01 0.02 -0.00 0.03 0.02 -0.02 -0.00 0.00 -0.00 0.05 0.05 -0.03 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.04 0.02 -0.00 0.00 0.01 -0.02 0.02 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.05 0.03 0.01 0.00 -0.00 -0.00 -0.02 -0.01 0.04 0.06 -0.03 -0.00 -0.00 0.02 -0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 0.06 0.04 -0.01 0.02 0.03 -0.00 -0.00 0.08 -0.00 -0.18 -0.34 0.03 -0.04 -0.03 0.00 -0.05 -0.03 0.01 0.01 -0.00 -0.00 0.02 -0.17 0.03 -0.01 -0.05 0.01 -0.06 0.02 0.00 0.02 0.17 -0.12 -0.00 0.02 -0.00 0.06 -0.03 0.01 -0.14 0.06 -0.02 -0.19 0.05 -0.01 -0.00 0.18 -0.03 0.03 -0.01 -0.00 0.01 -0.01 0.00 0.03 -0.01 -0.00 -0.11 -0.02 0.01 -0.01 0.01 0.00 -0.12 -0.20 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.04 0.02 0.00 -0.00 0.02 -0.05 0.05 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.08 0.04 0.02 0.00 -0.00 -0.00 -0.02 0.01 0.06 -0.14 0.71 -0.16 0.02 -0.02 -0.01 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 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.02 -0.03 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.03 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.04 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.03 -0.04 -0.06 0.05 -0.01 0.00 0.01 0.10 -0.16 0.20 0.02 0.13 -0.10 0.02 -0.04 0.01 -0.15 -0.46 0.37 0.22 0.00 -0.00 -0.00 -0.17 0.17 0.63 0.01 -0.06 0.01 0.01 -0.04 -0.02 -0.08 -0.14 0.01 0.19 0.10 -0.02 -0.05 -0.11 0.01 0.12 0.12 -0.02 -0.04 0.09 -0.00 -0.21 -0.27 0.02 -0.20 -0.06 0.01 -0.06 -0.06 0.02 0.02 -0.01 -0.00 -0.12 0.01 0.01 0.05 -0.01 -0.01 -0.03 -0.01 -0.01 0.18 0.12 0.19 0.23 -0.06 0.00 -0.10 -0.02 -0.02 0.25 0.33 -0.10 0.36 0.08 0.35 0.07 0.03 -0.01 -0.02 0.02 -0.00 0.01 -0.02 0.00 -0.01 0.00 0.00 0.06 0.01 -0.01 0.00 -0.00 -0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.01 -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 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.02 0.10 -0.28 0.05 -0.01 0.00 0.00 -0.06 0.04 0.00 0.11 -0.08 -0.01 -0.09 -0.06 0.02 -0.01 0.15 -0.01 -0.00 -0.07 0.00 0.16 0.33 -0.03 0.09 -0.13 -0.01 -0.01 -0.04 0.01 0.02 -0.02 0.00 0.17 0.00 -0.02 -0.06 -0.00 0.02 0.01 -0.02 0.01 -0.04 0.03 -0.19 -0.14 0.17 -0.01 -0.05 0.02 -0.00 0.07 0.18 -0.04 0.06 0.09 0.15 0.04 -0.08 0.01 -0.11 0.10 -0.00 0.06 0.02 -0.01 -0.02 -0.02 0.01 0.03 -0.02 -0.00 0.00 -0.00 0.00 -0.22 -0.36 0.09 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 -0.01 0.01 0.00 -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 0.01 0.01 -0.17 0.56 -0.11 0.01 -0.02 -0.01 0.03 0.03 -0.00 -0.07 -0.02 -0.00 0.02 0.03 -0.00 -0.03 -0.05 0.01 0.01 -0.01 -0.00 0.03 0.01 -0.00 0.04 0.02 0.00 0.02 0.02 -0.00 -0.01 0.00 0.00 0.02 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.06 0.12 0.10 -0.07 -0.00 0.01 -0.08 -0.03 0.11 0.63 -0.22 -0.05 0.37 0.58 -0.02 -0.01 0.00 0.01 -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 0.02 0.03 -0.01 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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.05 -0.01 -0.00 0.00 -0.00 0.03 0.01 -0.00 -0.03 -0.02 0.00 -0.02 0.04 0.00 0.04 -0.02 -0.00 -0.02 -0.03 0.00 0.03 0.09 -0.01 -0.02 0.07 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 0.02 -0.02 0.00 -0.07 0.03 -0.05 0.15 -0.04 0.62 0.50 -0.43 -0.01 0.02 0.02 0.01 -0.06 -0.12 0.04 -0.04 -0.05 -0.12 0.05 -0.03 0.00 -0.06 0.06 -0.00 0.02 -0.01 -0.00 -0.01 -0.00 0.00 0.05 0.00 -0.01 0.00 -0.00 0.00 -0.07 -0.14 0.04 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 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.22 -0.04 -0.00 -0.00 -0.00 0.11 -0.02 -0.01 -0.11 0.03 0.00 -0.06 0.11 -0.00 0.16 -0.09 -0.00 -0.07 -0.03 0.01 -0.03 0.07 -0.00 -0.12 0.24 0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.13 -0.01 0.01 0.07 -0.02 0.01 -0.00 -0.05 0.03 0.02 0.22 -0.49 -0.22 0.47 -0.01 0.04 -0.03 -0.00 -0.05 0.06 -0.03 -0.02 0.03 0.06 0.14 -0.03 -0.01 -0.14 0.12 -0.00 0.05 -0.03 -0.00 -0.02 -0.00 0.01 0.10 0.00 -0.02 0.00 -0.00 0.00 -0.18 -0.34 0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 -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 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.08 -0.12 0.01 -0.00 -0.01 -0.00 0.01 0.07 -0.00 0.01 -0.18 -0.00 -0.02 0.15 -0.00 0.23 0.17 -0.03 -0.15 -0.17 0.02 0.11 0.50 -0.04 -0.01 0.09 0.00 -0.10 -0.06 0.02 0.03 -0.02 -0.00 -0.05 -0.01 0.01 0.04 -0.05 0.01 -0.01 -0.01 -0.00 0.10 0.14 -0.05 0.01 0.07 -0.01 -0.02 0.04 0.00 -0.01 0.07 -0.01 -0.04 0.07 0.04 -0.11 0.08 -0.00 0.17 -0.05 -0.01 -0.08 -0.06 0.02 0.01 0.02 -0.00 0.05 0.03 -0.01 -0.00 0.00 -0.00 0.33 0.51 -0.13 -0.00 -0.00 0.00 0.00 -0.01 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 0.01 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 0.02 0.05 -0.02 -0.01 0.02 0.00 0.04 0.00 -0.00 -0.03 -0.02 0.00 0.01 0.03 -0.00 0.07 0.08 -0.01 -0.05 -0.05 0.01 0.02 0.16 -0.01 -0.04 0.09 0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.00 0.01 -0.11 0.02 -0.04 0.11 -0.03 0.03 0.01 0.00 -0.06 -0.16 0.14 -0.03 -0.21 0.02 -0.00 -0.00 -0.00 0.02 0.02 -0.01 -0.01 0.02 0.03 0.02 0.07 -0.01 -0.05 -0.22 0.04 0.08 0.21 -0.04 0.03 -0.04 -0.00 -0.30 -0.08 0.06 -0.00 -0.00 0.00 -0.38 -0.45 0.11 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.02 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 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.08 -0.49 0.11 0.01 -0.01 0.00 0.23 -0.13 -0.01 -0.18 0.29 0.01 -0.24 -0.20 0.03 0.13 0.06 -0.01 -0.07 -0.01 0.00 0.01 0.21 -0.01 -0.27 0.43 0.01 -0.05 -0.03 0.01 0.01 0.00 -0.00 0.25 -0.04 -0.01 -0.10 0.08 -0.01 0.03 0.03 0.00 -0.17 -0.25 0.09 -0.06 -0.16 0.01 0.06 -0.08 -0.01 -0.02 -0.05 -0.01 0.00 -0.09 -0.04 -0.07 0.02 0.00 0.09 0.04 -0.02 -0.05 -0.07 0.02 -0.00 0.02 -0.00 0.07 0.02 -0.02 -0.00 0.01 -0.00 0.19 0.27 -0.06 -0.00 -0.00 0.00 0.00 -0.01 -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 -0.01 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 0.01 -0.08 0.02 0.02 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.05 0.00 0.00 0.03 -0.03 0.00 0.00 0.01 -0.00 -0.02 -0.04 0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.00 -0.02 0.01 -0.00 -0.01 0.07 -0.01 0.02 -0.05 0.01 -0.01 0.00 -0.00 0.01 0.04 -0.04 0.00 0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.06 0.01 0.01 0.04 -0.01 -0.01 0.00 0.01 -0.04 0.00 0.05 0.06 -0.11 -0.03 -0.04 -0.02 0.01 0.00 -0.00 -0.00 -0.02 0.05 0.00 -0.33 0.37 -0.11 0.03 -0.02 -0.01 0.35 -0.35 0.23 0.11 -0.23 -0.35 -0.14 0.12 0.16 0.06 -0.07 -0.25 0.12 -0.09 0.09 -0.00 0.00 0.00 0.06 -0.03 -0.06 0.01 0.08 -0.02 -0.03 0.09 0.11 -0.02 -0.01 0.00 0.06 0.05 -0.01 -0.26 0.02 0.02 0.15 -0.15 0.00 0.01 0.04 -0.00 -0.08 -0.18 0.01 -0.02 -0.03 0.00 0.08 -0.03 -0.00 -0.07 0.07 -0.00 0.04 0.28 -0.05 0.08 -0.21 0.04 -0.03 0.02 -0.01 0.05 0.15 -0.11 0.02 0.14 -0.01 -0.00 -0.01 0.01 -0.02 -0.02 0.01 0.02 -0.05 -0.04 -0.11 -0.03 0.02 0.06 -0.26 0.04 0.02 0.18 -0.03 0.02 -0.03 -0.00 -0.20 -0.05 0.04 -0.00 -0.00 0.01 -0.13 -0.03 0.01 -0.00 0.00 -0.00 -0.01 0.02 0.00 0.05 -0.06 0.01 0.01 -0.01 0.00 -0.05 0.05 -0.03 -0.02 0.04 0.05 0.02 -0.01 -0.02 -0.01 0.01 0.04 -0.02 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.06 0.63 -0.15 0.00 -0.01 0.00 0.04 -0.02 -0.00 -0.06 0.03 0.00 0.09 -0.07 -0.00 -0.05 0.08 -0.00 -0.01 -0.02 0.00 0.03 0.11 -0.01 -0.03 0.07 0.00 -0.02 0.01 -0.00 0.02 -0.02 0.00 -0.04 0.05 -0.00 0.02 -0.04 0.01 -0.01 -0.00 -0.00 0.02 0.04 -0.03 0.01 0.04 -0.00 0.02 -0.01 -0.00 0.00 -0.01 0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.03 0.00 -0.05 0.03 0.13 0.16 -0.32 -0.01 0.02 0.03 -0.02 -0.00 0.00 -0.00 -0.17 0.34 -0.03 -0.05 0.04 -0.04 -0.02 0.00 0.03 0.10 -0.11 -0.00 -0.00 0.02 -0.08 0.22 -0.18 -0.21 -0.17 0.15 0.27 -0.23 0.15 -0.11 -0.00 0.00 -0.00 -0.12 0.05 -0.36 -0.03 0.14 -0.04 -0.09 0.07 0.31 0.14 -0.05 -0.01 -0.19 0.11 0.02 0.30 -0.25 -0.01 -0.15 0.29 -0.01 -0.04 -0.07 0.01 0.11 0.34 -0.02 -0.10 0.23 0.00 -0.05 0.01 0.00 0.04 -0.06 0.00 -0.19 0.24 -0.02 0.09 -0.17 0.03 -0.03 -0.01 -0.01 0.07 0.16 -0.13 0.03 0.18 -0.02 0.05 -0.02 -0.00 0.02 -0.04 0.00 -0.05 0.01 -0.01 0.01 -0.06 0.01 -0.02 -0.09 0.02 0.03 0.09 -0.02 0.00 -0.02 0.00 -0.06 -0.03 -0.01 -0.03 0.07 0.00 -0.10 -0.08 0.03 0.00 0.00 0.00 0.03 -0.07 0.01 0.02 -0.02 0.01 0.01 0.01 -0.01 -0.03 0.04 -0.00 -0.00 0.01 0.03 -0.06 0.05 0.06 0.05 -0.05 -0.08 0.07 -0.04 0.03 0.00 -0.00 0.00 0.04 -0.01 0.10 -0.02 0.36 -0.10 0.02 -0.02 -0.07 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.00 -0.01 0.01 -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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.02 -0.00 -0.01 -0.02 0.01 -0.01 0.03 -0.01 -0.03 0.03 0.12 0.15 -0.29 -0.00 0.03 0.02 -0.02 0.00 -0.00 -0.00 -0.20 0.38 0.00 0.16 -0.20 -0.02 0.06 -0.06 -0.00 -0.12 0.12 -0.01 -0.14 0.25 0.12 -0.19 0.16 0.19 0.15 -0.13 -0.24 0.23 -0.15 0.10 0.00 -0.00 0.00 0.10 -0.04 0.31 0.01 -0.06 0.01 -0.07 0.06 0.29 -0.04 0.04 0.00 0.07 0.03 -0.01 -0.09 -0.02 0.01 0.06 -0.17 0.01 -0.00 0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.00 -0.00 -0.47 0.64 -0.05 0.34 -0.36 0.02 0.03 0.04 -0.01 0.00 -0.02 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 -0.02 0.00 -0.00 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.01 -0.08 0.01 -0.00 0.04 -0.01 0.01 -0.01 -0.00 -0.06 -0.02 0.01 -0.00 0.00 0.00 -0.13 -0.16 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 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 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 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.06 0.15 -0.14 -0.07 -0.00 0.05 0.80 0.00 0.02 0.04 0.03 -0.15 -0.51 -0.04 -0.11 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 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.04 0.14 -0.14 -0.07 -0.00 0.04 0.50 -0.01 -0.04 -0.04 -0.04 0.21 0.72 0.10 0.28 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.08 0.07 0.03 -0.00 -0.00 -0.06 -0.02 -0.05 0.07 0.01 -0.11 -0.34 0.25 0.73 -0.50 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.06 0.05 0.05 0.68 -0.61 -0.27 -0.01 -0.01 -0.28 -0.00 -0.00 0.01 0.00 -0.03 -0.09 0.02 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 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.09 -0.00 -0.08 0.99 0.04 -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 -0.00 -0.00 0.00 -0.00 -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 0.00 0.00 -0.00 0.01 -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 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.08 0.02 -0.01 0.01 0.23 -0.09 0.92 -0.00 0.00 -0.00 -0.23 0.16 -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 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 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 0.01 -0.01 0.06 -0.00 -0.00 -0.03 -0.07 0.05 -0.02 0.07 -0.03 0.27 0.00 -0.00 -0.00 0.76 -0.53 0.22 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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.08 -0.00 0.00 0.00 0.00 -0.00 0.00 0.18 -0.14 0.97 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.03 -0.00 0.00 0.00 -0.05 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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.05 -0.01 -0.01 0.04 -0.08 -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 0.00 -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 -0.00 0.00 -0.00 0.00 0.00 0.15 -0.46 0.87 -0.07 -0.06 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 -0.02 -0.00 0.00 0.71 0.69 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.81 -0.58 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.06 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 0.01 -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 -0.07 -0.01 0.01 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.04 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.97 0.15 -0.14 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.07 0.03 0.00 0.92 -0.37 -0.04 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 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 6 6 6 6 7 1 1 6 8 6 7 6 1 1 6 1 1 6 6 7 6 1 6 1 16 6 6 6 6 1 6 6 1 35 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 27 28 29 30 31 32 33 34 35 36 37 6 6 6 6 7 1 1 6 8 6 7 6 1 1 6 1 1 6 6 7 6 1 6 1 16 6 6 6 6 1 6 6 1 35 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 15.99491 12.00000 14.00307 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 1.00783 31.97207 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 78.91834 1.00783 1.00783 1.00783 397.99627 0.87263 0.10896 0.47607 -0.07208 0.99285 -0.09511 -0.48303 0.04868 0.87425 asymmetric 1 0.01312 0.00702 0.00525 0.27345 0.14628 0.10946 741177.7 39.08 50.74 99.25 150.61 206.50 243.64 249.23 258.09 284.43 309.67 321.52 339.91 410.23 445.71 474.40 506.27 521.32 560.20 583.53 608.67 632.94 660.63 702.81 749.88 787.04 799.29 830.57 846.98 866.16 871.18 907.95 911.95 940.28 954.45 959.19 976.77 1032.37 1046.82 1069.22 1105.94 1114.67 1120.99 1163.45 1193.89 1218.16 1236.06 1252.24 1299.20 1307.42 1342.18 1371.64 1408.03 1432.30 1470.25 1475.07 1502.53 1518.44 1537.93 1555.00 1594.50 1638.93 1674.73 1724.62 1733.92 1763.99 1769.38 1776.93 1818.46 1870.97 1883.52 1894.05 1904.21 1924.26 1965.66 1995.42 2001.60 2028.61 2046.74 2103.38 2124.76 2137.09 2160.43 2197.07 2221.03 2280.95 2303.22 2360.37 2383.96 2416.64 2430.18 2473.96 2637.55 4413.27 4427.86 4514.90 4547.81 4575.63 4588.97 4631.93 4640.88 4661.71 4728.62 5090.10 5138.95 5249.78 0.282300 0.300298 0.301243 0.235755 -3904.902484 -3904.884486 -3904.883541 -3904.949029 188.440 74.108 137.829 0.000 0.000 0.000 0.889 2.981 43.835 0.889 2.981 35.550 186.663 68.146 58.444 1 0.593 1.984 6.026 2 0.594 1.982 5.509 3 0.598 1.969 4.182 4 0.605 1.945 3.365 5 0.616 1.910 2.756 6 0.625 1.880 2.443 7 0.627 1.875 2.400 8 0.629 1.868 2.335 9 0.637 1.843 2.155 10 0.645 1.818 1.999 11 0.649 1.805 1.931 12 0.655 1.785 1.831 13 0.683 1.701 1.503 14 0.699 1.655 1.363 15 0.713 1.616 1.261 16 0.728 1.571 1.158 17 0.736 1.550 1.112 18 0.757 1.493 1.003 19 0.771 1.458 0.942 20 0.785 1.420 0.882 21 0.800 1.383 0.827 22 0.817 1.341 0.769 23 0.844 1.276 0.688 24 0.876 1.203 0.607 25 0.902 1.146 0.550 26 0.911 1.128 0.533 27 0.934 1.080 0.490 28 0.946 1.056 0.470 29 0.960 1.028 0.446 30 0.964 1.020 0.440 0.256343e+22 21.408821 49.295632 0.626246e+06 5.796745 13.347498 0.100000e+01 0.000000 0.000000 0.312085e+09 8.494272 19.558785 0.131161e+08 7.117804 16.389349 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -6.0603 -3.0027 3.4352 7.5858 -114.1115 -109.9387 -145.3875 9.0075 -9.1940 -14.8522 9.0344 13.2072 -22.2416 9.0075 -9.1940 -14.8522 -51.6086 -37.2549 -130.2078 -16.7278 -112.7123 19.5804 46.0998 -27.4577 -12.4151 23.2992 -4252.3857 -3103.5526 -2018.2710 193.8423 788.5573 -116.9189 -124.7026 1058.1760 -36.8101 -1404.3590 -1160.2396 -913.5972 -92.5856 284.8638 -51.4454 0 -3905.1847841 5.524E-9 5.625E-6 0.2822997 0.3002984 -3904.8844857 -3904.8835415 -3904.9490286 6.7168682,9.8192191,-16.5360873,6.6968483,-6.8355379,-11.0422527 C01 [X(C18H13Br1N3O1S1)] -2.2083394 -1.1951657 1.2046344 0.2540287 0.286267 -0.0222427 -0.260391 -0.2150233 0.039926 -0.002988 -0.0047634 -0.0450384 -0.1258517 -0.5128692 0.0156009 -0.0265863 -0.0464958 0.0218943 -0.0629428 0.0855614 -0.0955252 -0.7590738 -0.1930396 0.0970455 -0.0345714 0.3101692 -0.0218841 0.0541388 -0.0672955 -0.0628259 0.4646919 -0.1161416 -0.0309187 -0.0821427 -1.1550355 0.1119775 0.0423029 0.1246664 0.001376 -0.8516956 0.069388 0.0824172 0.2120577 0.1730592 -0.0145403 0.0158838 -0.0233044 -0.1843004 0.437471 -0.0090777 -0.0218517 -0.0546992 0.168192 0.0148472 -0.0040789 0.0079243 0.3013917 0.0906625 0.0068803 0.0037653 0.0138989 0.1061422 0.0002785 0.0084713 0.0071125 0.1689856 1.3387373 -0.3391762 -0.1362595 -0.1089186 1.7403691 -0.1648527 -0.1466204 -0.1643504 0.3016412 -1.0045744 0.5226968 0.0609668 0.2835677 -1.0868681 0.0423513 0.0354169 0.081268 -0.3077764 1.1356136 -0.2834786 -0.0571362 0.2967096 2.2470535 -0.4288424 -0.0989101 -0.1809567 0.1976133 -0.7685565 0.6192863 -0.0610893 0.024142 -1.4042326 0.3006408 0.0711366 -0.1001891 -0.2277418 0.1938073 0.1728825 -0.034605 0.0278415 0.6979814 -0.1997778 -0.0334767 -0.0489031 0.2648433 -0.0101516 0.0508575 0.015623 0.0138402 0.019991 0.0085112 0.0516071 -0.0232494 0.0697419 0.070199 -0.0936621 0.0268437 -0.0210799 -0.0986954 -0.0125996 -0.0187009 0.034875 -0.0582945 0.0500912 -0.0424342 0.0003158 0.0036064 0.0339756 0.0185661 0.0075066 0.0103399 0.1053072 0.0233619 0.0904609 0.0005221 0.0283194 0.0538001 -0.0091387 0.0043589 -0.0383146 -0.0307312 0.039472 -0.0484571 0.022555 -0.0003056 -0.0043766 0.034766 0.0105706 0.0660754 0.0571899 -0.1250488 0.4694364 -0.1228829 -0.2325999 -1.7259778 0.2523876 0.0211175 0.2774538 -0.2453654 -0.3465644 -0.5731238 0.2109012 -0.0534004 1.6254992 -0.2409298 0.0780046 -0.1835805 0.1732721 -0.5537523 -0.0929623 0.0227995 -0.0877513 -1.4835767 0.2216766 0.1362099 0.1593094 -0.3805634 0.6567394 0.4069421 -0.011292 0.0618557 0.4280761 -0.1327362 -0.1024819 0.1689364 0.2925361 0.0094536 0.032643 0.0231499 0.0135323 0.0255418 -0.0018544 0.0088536 -0.0022347 0.0831026 -0.2414 -0.0809799 -0.0134253 0.0726869 -0.3374009 -0.026767 0.0531269 -0.197074 0.0005523 0.2835873 -0.1301088 0.009063 -0.1115584 0.3389211 0.0060609 0.0072686 -0.0228037 0.2464389 -0.2270445 -0.1106426 0.0829941 -0.0573073 -0.1147835 0.0936169 -0.0635695 -0.0580153 -0.0036073 0.0157482 -0.1298373 -0.0580696 -0.1129017 0.114445 -0.0790372 -0.2435523 0.1201128 0.0643803 -0.2505339 0.1835293 0.1016827 0.1121551 -0.1263488 -0.1111894 0.137717 -0.131229 -0.1617162 0.3018018 0.0104694 -0.0711439 0.2057766 0.2540224 0.1667645 -0.0193884 0.0448048 0.0379989 0.3090511 -0.3520086 -0.3881778 -0.4701262 0.3724643 0.540913 -0.4286382 0.4245899 0.4836027 0.1053801 0.0324089 -0.0026656 0.0459097 0.0752722 -0.0225959 0.0221538 -0.0275032 0.0295955 -0.0640701 -0.1618902 0.0056723 -0.2517226 -0.0663956 0.1194263 0.1439898 0.0191213 -0.15736 -0.0219551 -0.0138807 0.1803633 0.0135785 -0.1474374 -0.2178992 0.0633136 -0.1242781 0.0650358 0.0810267 0.057875 0.0138753 0.0415386 0.0902103 -0.0265024 0.0053539 0.0077586 0.0129514 -0.1768912 0.1622851 0.1366061 0.243047 -0.2300119 -0.189763 0.2777664 -0.2486309 -0.259624 0.088613 0.0505346 -0.0177852 0.0526992 0.1042671 0.0072477 0.0110416 -0.0012937 0.0631843 0.4190931 0.0058199 -0.0623679 0.157659 0.1368246 -0.0709335 -0.0606826 0.0005437 0.1998274 0.1585328 0.0531076 -0.0008493 0.0416405 0.1263826 -0.0300086 0.0187199 0.0075158 -0.0000985 273.0266747|-19.385791|316.6456409|-31.8707638|-2.7582436|190.1671745 0.000000108 0.000001631 0.000007630 0.000000083 -0.000001264 -0.000011217 0.000002552 -0.000000323 0.000000723 -0.000003086 -0.000005839 -0.000020337 -0.000000068 -0.000002132 0.000007075 0.000000509 -0.000001096 0.000001256 0.000000792 -0.000001068 -0.000001644 -0.000000172 0.000009620 0.000013225 0.000001630 -0.000005693 -0.000002979 0.000000153 0.000002995 0.000024422 0.000004270 -0.000012492 -0.000007727 -0.000003776 0.000000622 0.000001095 0.000001127 0.000001418 0.000000750 -0.000000418 -0.000000405 0.000001778 0.000002608 -0.000000614 -0.000000619 0.000001845 -0.000000989 -0.000000360 0.000000585 -0.000000375 -0.000000673 -0.000002011 0.000009710 0.000000542 -0.000004780 -0.000004575 0.000005261 -0.000001157 -0.000000092 -0.000003279 -0.000006174 -0.000005835 0.000000526 0.000000119 0.000000235 0.000001371 0.000004492 0.000000646 -0.000000913 -0.000000154 -0.000001592 -0.000000405 0.000005751 0.000012675 0.000005994 0.000000241 -0.000008368 0.000003594 -0.000000255 0.000008817 -0.000002764 -0.000006853 -0.000010043 -0.000007239 0.000006424 0.000004482 0.000007842 -0.000002714 -0.000001819 0.000001903 0.000007997 0.000015324 -0.000009273 -0.000003497 0.000003158 -0.000002168 -0.000001701 0.000001099 0.000001341 0.000001979 0.000000339 -0.000005342 -0.000003799 -0.000004280 -0.000001114 -0.000002382 -0.000003474 -0.000009528 -0.000000267 -0.000000404 0.000001248 386.18109999999984 AuxInfo=1/0/N:32,15,31,12,27,23,1,2,26,29,21,3,18,10,4,19,8,28,34,11,5,20,9,25/CRV:1.3,3.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.3,15.3,16.3,17.3,23.1/rA:37nC3C3C3C3NHHC3O1C3NCHHCHHC3C3NCHC3HSC3C3CC3HC3C3HBrHHH/rB:s1;s2;s3;s1s4;s5;s1;s4;s8;s3;s10;s11;s12;s12;s2s12;s15;s15;s10;s8s18;s19;s20;s21;s21;s20;s21;s23;s26;s18s25s26;s27;s27;s28;s29s31;s31;s29;s32;s11;s23;/rC:-4.1662,-2.3159,1.3611;-2.7877,-2.4407,1.2834;-2.2923,-1.1306,1.2167;-3.3458,-.249,1.2296;-4.4841,-.9868,1.3277;-5.4193,-.6037,1.3681;-4.9374,-3.0662,1.4332;-3.1363,1.1547,.996;-3.9726,2.0222,.9416;-.904,-.7577,1.0424;-.0676,-1.7821,1.1092;-.4524,-3.1122,1.6336;.325,-3.8099,1.3278;-.4463,-3.0471,2.7261;-1.8282,-3.5835,1.1514;-1.7748,-3.8984,.1049;-2.123,-4.4514,1.7424;-.5768,.605,.8076;-1.6524,1.5089,.7596;-1.5022,2.8003,.5217;-.1939,3.4034,.2527;-.285,4.4849,.2969;.3171,2.8373,-1.0552;-2.3469,3.3675,.5582;.9663,2.7726,1.5222;.8801,1.6374,-.8791;1.4907,.7649,-1.8675;.8356,1.1772,.5787;2.3599,-.165,-1.441;1.2942,.9185,-2.9215;1.9973,.2927,.9344;2.7123,-.3103,-.0224;2.2615,.1856,1.9822;3.2356,-1.3166,-2.6478;3.5753,-.9172,.2264;.9193,-1.6062,.9641;.1525,3.3329,-2.0032;