Orca 5.0.4 RELEASE 1 2 3 4 5 15s10p3d1f 12s7p2d1f 12s7p2d1f 12s7p2d1f 5s1p 6s6p2d1f 6s4p2d1f 6s4p2d1f 6s4p2d1f 3s1p 0 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 S S N N O O C C C C N N C N C C N C C H H H H H H H H H C C C C C C C H H H H H C H H 1 1 2 2 3 3 4 4 4 4 2 2 4 2 4 4 2 4 4 5 5 5 5 5 5 5 5 5 4 4 4 4 4 4 4 5 5 5 5 5 4 5 5 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8517,-4.035,-3.0477;-5.6827,-.7928,-.1757;1.3701,-.0501,-1.5652;-1.7978,-3.3294,1.4611;.9186,-4.1041,.8715;-1.115,.8605,-.6879;.2053,-1.3266,.8685;-1.2574,-1.1813,.5202;-1.7681,-.0703,-.1899;-2.1478,-2.1814,.879;-3.1522,-.012,-.3451;-3.4891,-2.0175,.6519;-4.0403,-.9379,.0552;2.4578,-1.9921,-2.1102;2.8029,-3.293,-1.9885;1.6,-1.3268,-1.2715;2.2241,-3.9305,-.9549;1.0574,-1.9926,-.187;1.3565,-3.3631,-.0265;2.8547,-1.4929,-2.8957;-4.1265,-2.7547,.9243;1.7484,.3347,-2.4174;.5532,.4091,-1.1521;-.8289,-3.6425,1.4004;-2.5034,-4.0316,1.6235;2.4426,-4.9104,-.8305;-3.5127,.8017,-.8261;.2405,-2.0402,1.6997;.0322,2.9945,3.3309;.5633,4.1082,3.9642;.8584,2.0272,2.7531;2.2432,2.2122,2.8325;2.7737,3.3235,3.4637;1.938,4.2791,4.0326;.2341,.8802,2.0961;-1.044,2.864,3.2786;-.0999,4.8446,4.4044;2.3583,5.1478,4.5264;3.8499,3.4473,3.5146;2.9153,1.48,2.3998;.8615,-.1001,1.4505;-.8522,.8625,2.1503;1.9462,-.1057,1.385; Method DFT(GTOs) Exchange PBE PBE kappa parameter XKappa 0.804000 XMuePBE 0.219520 Correlation PBE PBE beta parameter CBetaPBE 0.066725 LDAOpt PW91-LDA PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.250000 ScalDFX 0.750000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF NL short-range parameter 6.900000 RI-approximation to the Coulomb term is turned on functions 6127 RIJ-COSX (HFX calculated with COS-X)) on IntName 3m-f_methanol HFTyp RHF Charge 0 Mult 1 NEL 208 Dim 1053 ENuc 2698.7137354434 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 40 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 2.000e-06 Converg. threshold II (energy diff.) 1.000e-09 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 1 Thresh 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolG 2.000e-06 TolX 2.000e-06 TolErr 1.000e-08 Smallest eigenvalue 4.434e-08 Time for diagonalization 0.115 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.088 sec Total time needed 0.208 sec Method DFT(GTOs) Exchange PBE PBE kappa parameter XKappa 0.804000 XMuePBE 0.219520 Correlation PBE PBE beta parameter CBetaPBE 0.066725 LDAOpt PW91-LDA PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.250000 ScalDFX 0.750000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF NL short-range parameter 6.900000 RI-approximation to the Coulomb term is turned on functions 6127 RIJ-COSX (HFX calculated with COS-X)) on IntName 3m-f_methanol HFTyp RHF Charge 0 Mult 1 NEL 208 Dim 1053 ENuc 2698.1530173894 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 40 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 1 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 2.000e-06 Converg. threshold II (energy diff.) 1.000e-09 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 1 Thresh 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolG 2.000e-06 TolX 2.000e-06 TolErr 1.000e-08 Smallest eigenvalue 4.374e-08 Time for diagonalization 0.116 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.087 sec Total time needed 0.206 sec PBE0 ma-def2-TZVP AutoAux D4 VeryTightSCF TightOPT %basis PCDTrimAuxJ Coulomb PCDTrimAuxC Coulomb PCDTrimAuxJK Coulomb PCDThresh -1 end 0 1 pal nproc 12 end %maxcore 10000 %scf DirectResetFreq 1 DIISMaxEq 40 cpcm SMD true SMDSolvent "methanol" geom EnforceStrictConvergence true 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8559,-4.0365,-3.0483;-5.6853,-.7883,-.168;1.3791,-.0476,-1.5628;-1.8005,-3.3297,1.4657;.9111,-4.1058,.8622;-1.1149,.8552,-.6916;.2054,-1.3277,.8662;-1.2579,-1.1838,.5189;-1.7686,-.0736,-.1926;-2.1497,-2.1822,.8818;-3.1526,-.0134,-.3451;-3.491,-2.0153,.657;-4.042,-.9362,.059;2.4629,-1.9924,-2.1101;2.8053,-3.2941,-1.9902;1.6041,-1.3262,-1.2729;2.2223,-3.9317,-.9591;1.0576,-1.9929,-.1903;1.3539,-3.3646,-.0319;2.8637,-1.4925,-2.8935;-4.1298,-2.7504,.9328;1.762,.3407,-2.4117;.5616,.4141,-1.1527;-.8328,-3.6475,1.4027;-2.5066,-4.0304,1.6336;2.438,-4.9128,-.8357;-3.5124,.8007,-.8269;.2419,-2.0415,1.6977;.0309,2.9933,3.3312;.5611,4.1073,3.9647;.8578,2.027,2.7523;2.2425,2.2139,2.831;2.7719,3.3257,3.4623;1.9355,4.2799,4.0322;.234,.8794,2.0951;-1.0456,2.8618,3.2797;-.1031,4.843,4.4058;2.3553,5.1493,4.5264;3.8485,3.4507,3.5127;2.9158,1.4828,2.3977;.8612,-.1003,1.448;-.8523,.8603,2.1514;1.9459,-.1051,1.3817; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8652,-4.0304,-3.0483;-5.6839,-.777,-.1699;1.3633,-.0518,-1.5707;-1.8064,-3.3278,1.4705;.9277,-4.1042,.8683;-1.1064,.8487,-.6962;.2064,-1.3305,.8665;-1.2568,-1.1858,.519;-1.7639,-.0753,-.1954;-2.1522,-2.1804,.8846;-3.1474,-.0116,-.3492;-3.4928,-2.0085,.6592;-4.0404,-.9294,.0578;2.4596,-1.9921,-2.114;2.8109,-3.2911,-1.9905;1.5985,-1.3279,-1.2778;2.2332,-3.9284,-.9565;1.0584,-1.9943,-.1913;1.3622,-3.3645,-.0301;2.8562,-1.4925,-2.8999;-4.1346,-2.7403,.9372;1.7427,.3392,-2.4202;.5404,.4043,-1.1653;-.8409,-3.6522,1.4049;-2.5141,-4.026,1.6436;2.4551,-4.9079,-.8296;-3.5038,.8027,-.8337;.2434,-2.0445,1.6979;.0309,2.9918,3.331;.5604,4.1057,3.9653;.8582,2.0252,2.7531;2.2429,2.212,2.8339;2.7717,3.3236,3.4661;1.9348,4.2781,4.0348;.2348,.8775,2.0951;-1.0459,2.8612,3.2782;-.1044,4.8417,4.4056;2.3541,5.1474,4.5298;3.8485,3.4483,3.5181;2.9172,1.4808,2.4019;.8619,-.1024,1.4482;-.8516,.8584,2.1512;1.9467,-.1074,1.3828; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8588,-4.0394,-3.0463;-5.6868,-.787,-.1633;1.3773,-.0496,-1.5657;-1.7983,-3.3333,1.4585;.9112,-4.1043,.8633;-1.1156,.8594,-.6814;.2059,-1.3276,.8659;-1.2577,-1.1841,.5203;-1.7693,-.0705,-.1865;-2.1494,-2.1836,.8806;-3.1531,-.0112,-.3395;-3.4906,-2.0152,.6572;-4.0426,-.9346,.0626;2.463,-1.995,-2.1107;2.8065,-3.2963,-1.9892;1.6042,-1.3274,-1.2751;2.2226,-3.9323,-.9578;1.0574,-1.9928,-.1913;1.3526,-3.3654,-.0323;2.8643,-1.4962,-2.8947;-4.1295,-2.7511,.9309;1.7612,.3416,-2.413;.5552,.4101,-1.1628;-.8322,-3.6539,1.389;-2.5026,-4.0355,1.6288;2.4382,-4.9133,-.8325;-3.5126,.8048,-.8186;.2433,-2.0418,1.6971;.0308,2.996,3.3279;.5605,4.1098,3.9621;.858,2.0283,2.7516;2.2426,2.214,2.8338;2.7717,3.3256,3.4659;1.935,4.2812,4.0331;.2345,.8807,2.0937;-1.0459,2.8664,3.2741;-.1041,4.8465,4.4011;2.3544,5.1504,4.5279;3.8484,3.4494,3.519;2.917,1.4822,2.4031;.8615,-.0997,1.4476;-.852,.8623,2.1489;1.9464,-.105,1.3828; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8436,-4.0366,-3.0604;-5.6852,-.8019,-.1761;1.3939,-.04,-1.5505;-1.797,-3.3209,1.4844;.895,-4.1097,.8481;-1.1161,.8427,-.7132;.2058,-1.3265,.8656;-1.2576,-1.1844,.5185;-1.7692,-.0806,-.2035;-2.1483,-2.1803,.8893;-3.1532,-.0245,-.3584;-3.4895,-2.0174,.662;-4.0416,-.9446,.0538;2.4638,-1.989,-2.1103;2.7978,-3.2935,-1.9978;1.6099,-1.3218,-1.2694;2.2104,-3.9329,-.9704;1.0579,-1.9908,-.1912;1.3455,-3.3656,-.0398;2.8681,-1.4873,-2.8907;-4.1274,-2.7508,.944;1.7798,.3529,-2.3959;.5786,.4245,-1.1394;-.8291,-3.6378,1.4251;-2.5008,-4.0219,1.6607;2.4188,-4.9161,-.8527;-3.5133,.7843,-.8484;.2426,-2.0407,1.6965;.0307,2.9942,3.3311;.561,4.108,3.9648;.8575,2.0272,2.7532;2.2421,2.2133,2.8332;2.7718,3.3248,3.4648;1.9355,4.2798,4.0336;.2337,.88,2.0956;-1.0457,2.8639,3.2788;-.103,4.844,4.405;2.3553,5.1488,4.528;3.8481,3.4491,3.5161;2.9156,1.4819,2.4008;.8609,-.0991,1.4479;-.8526,.8611,2.1517;1.9456,-.1035,1.3817; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8567,-4.0344,-3.0521;-5.6856,-.7861,-.1649;1.3794,-.047,-1.5611;-1.8012,-3.3285,1.4692;.9136,-4.107,.8603;-1.1133,.8531,-.6924;.206,-1.329,.8659;-1.2574,-1.1852,.5192;-1.7676,-.0749,-.1937;-2.1502,-2.1819,.8841;-3.1515,-.0141,-.3458;-3.4912,-2.0136,.66;-4.0418,-.9349,.0607;2.4627,-1.9916,-2.1116;2.8059,-3.2932,-1.9928;1.6049,-1.3258,-1.2736;2.2235,-3.9312,-.9618;1.0584,-1.9931,-.1912;1.355,-3.3655,-.0338;2.8632,-1.4912,-2.8949;-4.1307,-2.7474,.9375;1.7624,.3449,-2.4084;.5592,.4129,-1.1545;-.8349,-3.6496,1.4032;-2.5067,-4.0287,1.6422;2.4393,-4.9123,-.8386;-3.5104,.8001,-.8281;.2431,-2.0432,1.6969;.0301,2.9946,3.3268;.56,4.1085,3.9607;.8572,2.0264,2.7513;2.2418,2.2116,2.8342;2.7711,3.3232,3.466;1.9345,4.2794,4.0323;.2338,.879,2.0936;-1.0465,2.8653,3.2725;-.1045,4.8456,4.399;2.3539,5.1485,4.5269;3.8476,3.4466,3.5194;2.9159,1.4792,2.404;.8612,-.1014,1.448;-.8527,.8608,2.1481;1.9461,-.1066,1.3835; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8561,-4.0351,-3.0511;-5.6859,-.79,-.1677;1.3786,-.0467,-1.5617;-1.7995,-3.3291,1.4683;.9106,-4.1059,.8598;-1.1142,.8523,-.6933;.2059,-1.3281,.8662;-1.2576,-1.1847,.52;-1.7683,-.0744,-.1925;-2.1497,-2.1824,.8842;-3.1522,-.0155,-.3465;-3.4907,-2.015,.6593;-4.042,-.9369,.0596;2.4621,-1.9917,-2.1115;2.805,-3.2934,-1.9921;1.6043,-1.3254,-1.2739;2.2216,-3.931,-.9615;1.0575,-1.9923,-.1913;1.3526,-3.3651,-.0342;2.863,-1.4917,-2.8948;-4.1298,-2.7496,.9361;1.7619,.3456,-2.4088;.5574,.4128,-1.1568;-.8332,-3.6498,1.4014;-2.504,-4.0303,1.6414;2.4368,-4.9123,-.838;-3.5113,.7981,-.8297;.2433,-2.0426,1.697;.031,2.996,3.3271;.5612,4.1098,3.961;.8579,2.0273,2.7521;2.2426,2.2117,2.8356;2.7721,3.3233,3.4674;1.9357,4.28,4.0331;.2341,.88,2.0942;-1.0457,2.8674,3.2724;-.1032,4.8473,4.3988;2.3555,5.1491,4.5278;3.8488,3.4461,3.5213;2.9166,1.479,2.4059;.8612,-.1005,1.4485;-.8523,.8621,2.1488;1.9461,-.106,1.3841; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8561,-4.0343,-3.052;-5.6858,-.7889,-.1662;1.3794,-.0463,-1.5608;-1.7999,-3.3289,1.4691;.9112,-4.1067,.8593;-1.1141,.8526,-.6929;.2059,-1.3285,.8661;-1.2575,-1.185,.5198;-1.7681,-.0749,-.1931;-2.1498,-2.1823,.8843;-3.1521,-.0153,-.3462;-3.4909,-2.0148,.6598;-4.0419,-.9365,.0602;2.4623,-1.9913,-2.1116;2.8052,-3.293,-1.9928;1.6047,-1.3253,-1.2735;2.2221,-3.9309,-.9622;1.0578,-1.9926,-.1913;1.3533,-3.3652,-.0344;2.8631,-1.4909,-2.8947;-4.13,-2.7491,.937;1.7625,.346,-2.4078;.5585,.4131,-1.1552;-.8336,-3.6497,1.4024;-2.5048,-4.0297,1.6423;2.4373,-4.9122,-.839;-3.5111,.7985,-.8289;.2432,-2.043,1.6969;.0307,2.9961,3.3259;.5608,4.1099,3.9597;.8576,2.027,2.7517;2.2423,2.2111,2.8358;2.7718,3.3226,3.4675;1.9354,4.2797,4.0325;.2339,.8797,2.0938;-1.046,2.8676,3.2707;-.1036,4.8477,4.3971;2.355,5.1488,4.5271;3.8484,3.4452,3.522;2.9163,1.478,2.4067;.8612,-.101,1.4484;-.8526,.8619,2.1479;1.9461,-.1066,1.3844; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8562,-4.0337,-3.0524;-5.686,-.789,-.1656;1.3796,-.046,-1.5603;-1.8,-3.3289,1.4694;.9114,-4.1068,.8589;-1.1143,.8523,-.693;.2059,-1.3286,.8661;-1.2576,-1.1852,.5198;-1.7683,-.0752,-.1931;-2.1499,-2.1824,.8846;-3.1522,-.0156,-.346;-3.491,-2.0149,.6602;-4.0421,-.9367,.0606;2.4623,-1.9908,-2.1116;2.8052,-3.2926,-1.993;1.6047,-1.3251,-1.2734;2.2222,-3.9307,-.9626;1.0578,-1.9925,-.1914;1.3533,-3.3652,-.0347;2.8632,-1.4903,-2.8947;-4.13,-2.7493,.9374;1.7627,.3465,-2.4073;.5586,.4133,-1.1548;-.8337,-3.6498,1.4025;-2.5048,-4.0297,1.6428;2.4374,-4.912,-.8395;-3.5113,.7983,-.8287;.2433,-2.0432,1.6969;.0307,2.9966,3.3249;.5609,4.1104,3.9587;.8575,2.0269,2.7515;2.2423,2.2104,2.8365;2.7718,3.322,3.4682;1.9355,4.2796,4.0323;.2338,.8797,2.0936;-1.046,2.8686,3.2691;-.1035,4.8486,4.3953;2.3552,5.1487,4.5269;3.8485,3.444,3.5233;2.9162,1.4769,2.4082;.8611,-.1012,1.4485;-.8527,.8622,2.1474;1.946,-.1069,1.3848; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8563,-4.0317,-3.0535;-5.6862,-.7899,-.1643;1.38,-.0448,-1.5589;-1.7998,-3.3293,1.4702;.9111,-4.1073,.8574;-1.1149,.8517,-.6931;.2058,-1.329,.8663;-1.2578,-1.1857,.5202;-1.7686,-.0759,-.1929;-2.1499,-2.183,.8852;-3.1526,-.0165,-.3456;-3.4911,-2.0157,.6611;-4.0423,-.9375,.0614;2.4623,-1.9895,-2.1118;2.8052,-3.2913,-1.9939;1.6048,-1.3242,-1.2731;2.2221,-3.9301,-.9638;1.0577,-1.9923,-.1916;1.3532,-3.3651,-.0357;2.863,-1.4885,-2.8946;-4.1299,-2.7501,.9385;1.7627,.3481,-2.406;.5584,.4138,-1.1539;-.8336,-3.6504,1.4025;-2.5045,-4.0302,1.644;2.4373,-4.9114,-.8413;-3.5118,.7974,-.8283;.2435,-2.0438,1.6968;.0308,2.9984,3.3216;.5613,4.1122,3.9551;.8575,2.0269,2.7512;2.2424,2.2084,2.8392;2.7722,3.3199,3.4707;1.936,4.2796,4.0317;.2336,.8798,2.0932;-1.0459,2.872,3.2635;-.103,4.8519,4.3894;2.3559,5.1486,4.5261;3.8489,3.4404,3.5281;2.9162,1.4732,2.4135;.8609,-.1017,1.4491;-.8529,.8631,2.146;1.9459,-.108,1.3864; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8565,-4.0302,-3.0544;-5.6866,-.7908,-.1629;1.3803,-.0439,-1.5582;-1.7994,-3.3296,1.4709;.911,-4.1075,.8562;-1.1156,.8511,-.6932;.2057,-1.3291,.8664;-1.2579,-1.1861,.5205;-1.769,-.0765,-.1927;-2.1499,-2.1834,.8858;-3.1531,-.0172,-.3452;-3.4911,-2.0163,.662;-4.0426,-.9383,.0623;2.4622,-1.9885,-2.1121;2.8052,-3.2903,-1.9946;1.6048,-1.3235,-1.2731;2.222,-3.9295,-.9648;1.0576,-1.9921,-.1919;1.353,-3.3649,-.0366;2.863,-1.4872,-2.8947;-4.1298,-2.7507,.9396;1.7625,.3492,-2.4053;.5581,.4142,-1.1535;-.8333,-3.6507,1.4025;-2.504,-4.0305,1.6449;2.4373,-4.9109,-.8425;-3.5124,.7966,-.8278;.2437,-2.0442,1.6966;.031,3.0002,3.3185;.5617,4.114,3.952;.8576,2.0268,2.751;2.2424,2.2064,2.8418;2.7725,3.3179,3.4733;1.9364,4.2794,4.0313;.2335,.88,2.0928;-1.0458,2.8752,3.2583;-.1025,4.8551,4.3839;2.3564,5.1485,4.5258;3.8492,3.4369,3.5331;2.9161,1.4698,2.4186;.8607,-.102,1.4493;-.8531,.864,2.1447;1.9457,-.1087,1.3874; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8565,-4.029,-3.0554;-5.6869,-.7915,-.1616;1.3803,-.0431,-1.5577;-1.7991,-3.33,1.4714;.911,-4.1076,.8552;-1.1161,.8506,-.6931;.2057,-1.3293,.8664;-1.258,-1.1865,.5208;-1.7693,-.0769,-.1923;-2.1497,-2.1838,.8864;-3.1534,-.0178,-.3445;-3.491,-2.0168,.6629;-4.0428,-.9389,.0633;2.4621,-1.9876,-2.1124;2.8052,-3.2895,-1.9954;1.6047,-1.3229,-1.2732;2.222,-3.929,-.9658;1.0575,-1.9918,-.1922;1.353,-3.3647,-.0373;2.8628,-1.4861,-2.8948;-4.1296,-2.7513,.9407;1.7622,.35,-2.4051;.5578,.4145,-1.1532;-.833,-3.6511,1.4024;-2.5036,-4.031,1.6454;2.4373,-4.9104,-.8438;-3.513,.7959,-.8271;.244,-2.0446,1.6964;.0311,3.0019,3.3155;.5619,4.1157,3.9488;.8576,2.0268,2.7508;2.2425,2.2046,2.8447;2.7726,3.3161,3.476;1.9366,4.2794,4.031;.2334,.8801,2.0925;-1.0457,2.8783,3.253;-.1022,4.8582,4.3784;2.3568,5.1484,4.5254;3.8494,3.4335,3.5381;2.9161,1.4664,2.4239;.8607,-.1022,1.4496;-.8532,.8646,2.1437;1.9457,-.1092,1.3882; 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8566,-4.0277,-3.0564;-5.6873,-.7926,-.16;1.3799,-.0424,-1.5579;-1.7985,-3.3304,1.472;.9112,-4.1074,.8544;-1.1169,.8502,-.6931;.2057,-1.3293,.8662;-1.2581,-1.1868,.521;-1.7699,-.0774,-.1921;-2.1496,-2.1842,.887;-3.154,-.0185,-.3439;-3.491,-2.0174,.6639;-4.0431,-.9397,.0643;2.462,-1.9867,-2.1129;2.8052,-3.2885,-1.9961;1.6045,-1.3223,-1.2735;2.2221,-3.9283,-.9667;1.0575,-1.9914,-.1926;1.3531,-3.3643,-.0381;2.8626,-1.485,-2.8952;-4.1294,-2.7519,.9421;1.7613,.3505,-2.4055;.5572,.4148,-1.1534;-.8324,-3.6513,1.4025;-2.5029,-4.0315,1.646;2.4376,-4.9097,-.8449;-3.5138,.7951,-.8265;.2444,-2.0447,1.6961;.0313,3.004,3.312;.5622,4.1178,3.9451;.8577,2.0268,2.7508;2.2426,2.2022,2.8483;2.7729,3.3137,3.4795;1.9371,4.2792,4.0309;.2334,.8802,2.0923;-1.0456,2.8821,3.2469;-.1017,4.862,4.372;2.3573,5.1482,4.5252;3.8497,3.4293,3.5445;2.916,1.4621,2.4307;.8606,-.1022,1.4495;-.8533,.8651,2.143;1.9456,-.1094,1.3884; -1931.880145197936 -1931.880166239771 -1931.880160087896 -1931.880160440704 -1931.880138193534 -1931.880175423141 -1931.880174175718 -1931.880175351025 -1931.880175537867 -1931.880175900646 -1931.880176002871 -1931.880176108864 -1931.880176129655 0 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 S S N N O O C C C C N N C N C C N C C H H H H H H H H H C C C C C C C H H H H H C H H 0.143901 0.144866 0.014303 0.008488 -0.106660 -0.087851 -0.184845 -0.130772 -0.377849 -0.254217 0.127998 0.131908 -0.615731 0.132029 -0.613428 -0.259143 0.127988 -0.132989 -0.372379 0.268185 0.268465 0.231030 0.228326 0.224070 0.230420 0.266881 0.267684 0.243762 -0.141824 -0.177780 -0.195468 -0.136694 -0.176300 -0.180794 -0.151442 0.194926 0.186980 0.185601 0.187058 0.194820 -0.135592 0.213221 0.208849 0 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 S S N N O O C C C C N N C N C C N C C H H H H H H H H H C C C C C C C H H H H H C H H 16.5623 16.5609 7.4932 7.5634 8.6546 8.5861 7.1746 4.6838 5.6154 5.8837 7.2032 7.1667 5.8050 7.1714 5.8324 5.8807 7.2244 6.2038 5.6910 0.6784 0.6778 0.6765 0.6678 0.6715 0.6736 0.6808 0.6793 0.8298 6.1313 6.0545 6.5675 6.1728 6.0489 6.1016 5.6843 0.8224 0.8250 0.8249 0.8226 0.8259 6.3074 0.8030 0.8162 16.0000 16.0000 7.0000 7.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 7.0000 7.0000 6.0000 7.0000 6.0000 6.0000 7.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 -0.5623 -0.5609 -0.4932 -0.5634 -0.6546 -0.5861 -1.1746 1.3162 0.3846 0.1163 -0.2032 -0.1667 0.1950 -0.1714 0.1676 0.1193 -0.2244 -0.2038 0.3090 0.3216 0.3222 0.3235 0.3322 0.3285 0.3264 0.3192 0.3207 0.1702 -0.1313 -0.0545 -0.5675 -0.1728 -0.0489 -0.1016 0.3157 0.1776 0.1750 0.1751 0.1774 0.1741 -0.3074 0.1970 0.1838 1.6573 1.6572 2.9858 3.0858 1.6936 1.6958 3.7410 -1.4341 4.1009 4.3348 3.2658 3.1931 4.0271 3.2077 4.0782 4.3940 3.2791 3.5925 3.9961 0.9056 0.9033 0.9113 0.9293 0.9235 0.9099 0.9063 0.9051 0.9524 3.9689 3.9560 4.5234 4.1596 4.0446 3.8995 3.0485 0.9524 0.9520 0.9533 0.9494 0.9590 4.9266 0.9297 0.9467 1.6573 1.6572 2.9858 3.0858 1.6936 1.6958 3.7410 -1.4341 4.1009 4.3348 3.2658 3.1931 4.0271 3.2077 4.0782 4.3940 3.2791 3.5925 3.9961 0.9056 0.9033 0.9113 0.9293 0.9235 0.9099 0.9063 0.9051 0.9524 3.9689 3.9560 4.5234 4.1596 4.0446 3.8995 3.0485 0.9524 0.9520 0.9533 0.9494 0.9590 4.9266 0.9297 0.9467 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.4448 1.4402 0.1687 -0.1644 1.2832 0.1162 0.9066 0.8301 0.1243 -0.5363 1.4325 0.2840 0.8449 0.9013 -0.1616 0.1870 1.3551 0.3645 -0.1936 1.4558 -0.1372 0.1302 -0.1737 -1.0953 0.2688 -0.1241 0.2907 -0.1281 0.4436 0.1881 0.8567 0.7011 -0.3665 2.3548 -0.1410 -0.1357 1.6018 1.5929 -0.5015 -0.5415 -0.2809 -0.1027 -0.1215 -0.1705 -0.2887 0.3261 -0.8598 0.1140 1.0170 -0.2227 1.1080 -0.3899 0.1012 1.2760 0.8811 1.2515 0.8761 1.2562 1.0539 0.1676 0.8819 1.2876 1.9545 0.1045 1.1255 0.8828 1.5995 0.1003 -0.1181 0.2556 -0.1106 -0.1022 0.2795 1.5058 1.3013 0.2323 0.1108 0.8605 1.3813 0.9210 1.3170 0.1440 0.8131 0.1309 0.1014 1.5889 -0.1679 0.8349 0.1655 1.3626 0.8936 0.9254 -0.1182 1.8822 0.7773 0.1544 0.8419 0 14 1 12 2 6 2 7 2 15 2 17 2 21 2 22 3 6 3 7 3 9 3 17 3 23 3 24 4 7 4 17 4 18 5 6 5 7 5 8 5 17 5 34 5 40 6 7 6 9 6 11 6 15 6 16 6 17 6 22 6 27 6 30 6 34 6 40 6 41 6 42 7 8 7 9 7 15 7 17 7 18 7 22 7 24 7 27 7 30 7 34 7 40 7 41 8 10 8 17 9 11 9 17 9 40 10 12 10 26 11 12 11 20 13 14 13 15 13 17 13 19 14 16 15 17 15 40 16 18 16 25 17 18 17 23 17 34 17 42 22 40 27 34 27 40 28 29 28 30 28 31 28 33 28 35 29 33 29 36 30 31 30 32 30 34 30 39 30 40 31 32 31 34 31 39 31 40 32 33 32 38 33 37 34 39 34 40 34 41 40 41 40 42 -0.0000000 0 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 S S N N O O C C C C N N C N C C N C C H H H H H H H H H C C C C C C C H H H H H C H H -0.562318 -0.560892 -0.493243 -0.563401 -0.654583 -0.586054 -1.174565 1.316211 0.384630 0.116333 -0.203184 -0.166654 0.195046 -0.171359 0.167642 0.119301 -0.224357 -0.203823 0.309007 0.321632 0.322227 0.323510 0.332170 0.328536 0.326425 0.319229 0.320665 0.170205 -0.131309 -0.054500 -0.567541 -0.172759 -0.048946 -0.101640 0.315667 0.177570 0.175002 0.175098 0.177449 0.174135 -0.307396 0.196995 0.183836 0 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2421.3554 -2421.3522 -522.1660 -522.1574 -393.4603 -393.4458 -393.1459 -393.1345 -392.1625 -392.0779 -281.9976 -281.9929 -281.4529 -281.4149 -281.4123 -281.3673 -279.0847 -278.5938 -278.5720 -278.5175 -278.3302 -278.2336 -278.2195 -278.1994 -278.1923 -278.1839 -278.1352 -216.7069 -216.7037 -160.5692 -160.5660 -160.4308 -160.4276 -160.3532 -160.3501 -29.8773 -29.8189 -28.9058 -28.8221 -27.1349 -26.9861 -25.6207 -25.5356 -24.2296 -23.6950 -22.5825 -22.3491 -21.6928 -20.9638 -20.8522 -20.5042 -19.1386 -18.9908 -18.8269 -18.4697 -18.4123 -17.4078 -17.0048 -16.8201 -16.5738 -16.4669 -15.9153 -15.2981 -15.2516 -15.0324 -14.4901 -14.2572 -14.1685 -13.9200 -13.8566 -13.6914 -13.5756 -13.0461 -12.9372 -12.5586 -12.3117 -12.2801 -11.9997 -11.8373 -11.7055 -11.6785 -11.5069 -11.1211 -11.0096 -10.9148 -10.8085 -10.6353 -10.5646 -10.1094 -9.5978 -9.3690 -8.7063 -8.5734 -8.3957 -8.3336 -8.2278 -7.4249 -7.3568 -7.1750 -6.7081 -6.6887 -6.6363 -6.2955 -6.1489 -1.1688 -0.9722 -0.9216 -0.7525 -0.4590 -0.2392 -0.0914 0.1189 0.2489 0.4166 0.6176 0.6858 0.7425 0.7908 0.8777 0.9611 1.0018 1.0879 1.1720 1.2684 1.3641 1.4679 1.5505 1.6001 1.6753 1.7413 1.7923 1.9897 2.0396 2.1250 2.2152 2.2575 2.3240 2.3777 2.4174 2.4581 2.5266 2.6201 2.7341 2.7686 2.8593 2.9281 2.9999 3.0100 3.0369 3.1103 3.2105 3.2605 3.2847 3.3549 3.3929 3.4207 3.4860 3.5356 3.5722 3.6924 3.7062 3.7593 3.8087 3.8180 3.8459 3.8567 3.9834 4.0765 4.0906 4.1290 4.2295 4.2723 4.3449 4.3755 4.4119 4.4806 4.5038 4.5837 4.6006 4.6738 4.7088 4.7934 4.9538 4.9673 4.9988 5.0530 5.1542 5.2018 5.2143 5.2715 5.3338 5.3943 5.4266 5.4824 5.4875 5.5712 5.6443 5.6915 5.8053 5.8852 5.9462 5.9784 6.0290 6.0684 6.1483 6.2398 6.2605 6.2943 6.4218 6.4838 6.5681 6.6601 6.6949 6.7897 6.8110 6.8507 6.9211 6.9481 7.0913 7.1260 7.1796 7.2494 7.3866 7.4390 7.5085 7.5415 7.6472 7.6943 7.7584 7.7919 7.8708 7.9380 8.0056 8.0179 8.1841 8.2541 8.2577 8.3115 8.4012 8.4233 8.5491 8.5723 8.7394 8.7886 8.9358 9.0236 9.1601 9.2505 9.3019 9.4589 9.5630 9.6422 9.7861 9.8477 9.9821 10.0059 10.1793 10.3062 10.3490 10.5418 10.5853 10.7192 10.8333 10.8669 10.8958 10.9706 11.0382 11.1464 11.2831 11.3469 11.4434 11.5117 11.5662 11.7115 11.8828 11.9422 11.9677 12.0667 12.1537 12.2053 12.3327 12.4133 12.4666 12.5479 12.6171 12.7234 12.7676 12.8505 12.9553 12.9881 13.1146 13.2405 13.2688 13.3756 13.4034 13.4676 13.5847 13.8255 13.8615 13.9897 14.0658 14.2189 14.3412 14.4431 14.5283 14.6015 14.6650 14.7189 14.7829 14.8518 14.9079 14.9618 15.0388 15.0565 15.1582 15.2977 15.4156 15.4976 15.5579 15.6456 15.6869 15.8121 15.8595 16.0255 16.0850 16.2261 16.2654 16.2843 16.3109 16.3877 16.4747 16.5098 16.8247 16.8584 16.9443 17.0711 17.2076 17.2284 17.4341 17.4851 17.5733 17.6310 17.8565 17.9134 18.0050 18.1446 18.2412 18.3905 18.5035 18.5277 18.5767 18.8040 18.8886 19.0607 19.1080 19.2364 19.3128 19.4932 19.5678 19.6469 19.7585 19.8780 20.0255 20.0762 20.1853 20.4046 20.5196 20.6424 20.7203 20.8777 21.0460 21.1581 21.2043 21.3378 21.3924 21.5721 21.6016 21.7859 21.9476 22.0942 22.1545 22.2555 22.3951 22.5038 22.5968 22.6258 22.8075 22.9949 23.0835 23.2774 23.3156 23.5111 23.6447 23.7655 23.9401 24.0639 24.2467 24.3979 24.5831 24.8366 24.9145 25.0177 25.1828 25.2841 25.3842 25.6616 25.7263 25.9193 25.9410 26.0334 26.4311 26.7096 26.8356 27.0120 27.0875 27.5265 27.9164 28.0365 28.2612 28.5020 28.8924 29.1034 29.1236 29.4301 29.5640 29.8851 30.1474 30.1911 30.3799 30.7084 30.8512 30.9882 31.2089 31.4147 31.5285 32.1611 32.2625 32.4539 32.6011 32.9796 33.1694 33.3814 33.5785 33.7129 33.7952 33.9739 34.2345 34.3530 34.4409 34.6723 34.8234 35.0241 35.0894 35.3027 35.5854 35.6310 36.2574 36.4471 36.5574 36.6496 36.7535 36.9142 37.0315 37.1168 37.3116 37.4908 37.7972 37.9606 37.9969 38.1122 38.3131 38.4964 38.7747 38.8370 39.0304 39.3340 39.4967 39.9225 40.0800 40.2011 40.3866 40.6710 40.9153 41.2355 41.3389 41.5766 41.8797 41.9366 42.0050 42.0604 42.2199 42.2728 42.4131 42.5644 42.6624 42.7524 42.9026 42.9806 43.2425 43.2964 43.4230 43.5464 43.6338 43.9593 43.9632 44.2448 44.3033 44.4176 44.5241 44.6941 44.8419 44.8803 45.0785 45.1389 45.3154 45.5514 45.5974 45.7707 45.9247 45.9778 46.0784 46.1351 46.3861 46.4508 46.5567 46.5755 46.6273 46.7719 46.8738 47.0115 47.0466 47.0946 47.1498 47.2472 47.2593 47.4982 47.6219 47.8447 47.9219 48.0235 48.2949 48.3355 48.4177 48.6354 48.8681 49.0819 49.1640 49.2975 49.5633 49.6067 49.7176 49.7931 50.1249 50.2136 50.5003 50.6066 50.8941 51.0208 51.3487 51.4997 51.7149 51.8166 52.1966 52.2603 52.4632 52.6405 52.8509 53.0567 53.2276 53.4036 53.4582 53.5087 53.6686 53.7414 54.1119 54.1264 54.2675 54.5173 54.6974 54.7513 54.9257 55.1572 55.4117 55.6426 55.8650 55.9675 56.1029 56.3550 56.6688 56.7240 56.9687 57.1863 57.4389 57.4895 57.7951 57.8909 58.1862 58.3755 58.5332 58.6377 58.7103 58.8683 59.2276 59.4193 59.5358 59.7705 60.1001 60.2828 60.6876 60.9192 61.1456 61.3796 61.5930 61.9099 61.9931 62.1475 62.4720 62.6003 62.8536 63.1394 63.4460 63.7187 64.1806 64.3656 64.4461 64.6091 65.0085 65.1204 65.2958 65.4777 65.6179 65.8604 65.9196 66.0407 66.1611 66.3465 66.5487 66.7721 67.3594 67.7280 67.8870 68.2704 68.7731 68.8236 69.2800 69.4380 69.6581 69.7394 70.2797 70.5229 70.6115 70.8949 71.1763 71.2198 71.3547 71.6111 71.9032 72.0356 72.1405 72.3389 72.4205 72.8257 72.9123 73.0076 73.2517 73.3541 73.6036 73.7664 73.9085 73.9602 74.1278 74.4378 74.6239 74.6595 74.9516 75.1229 75.4075 75.5317 75.6575 75.7206 76.1065 76.2035 76.3171 76.4430 76.6428 76.9955 77.3031 77.4243 77.6010 77.8300 77.9710 78.1719 78.3840 78.5707 78.7893 78.9285 79.0521 79.1997 79.3503 79.6782 79.8270 79.9355 79.9727 80.1258 80.2800 80.3910 80.5406 80.8419 80.9025 81.1474 81.2678 81.4085 81.6018 81.7359 82.0738 82.1155 82.3137 82.4801 82.5610 82.7477 82.8905 83.3433 83.4706 83.5986 83.7031 83.8371 84.1799 84.3648 84.5178 84.5748 84.8528 85.1149 85.3148 85.4817 85.5314 85.7310 85.9351 86.1428 86.3713 86.4366 86.4906 86.5892 86.7649 86.9857 87.2648 87.3901 87.5650 87.7336 87.8884 87.9628 88.0232 88.2116 88.5771 88.8211 88.9049 89.0554 89.2241 89.2722 89.4529 89.6808 89.7367 89.8887 89.9821 90.0718 90.2306 90.3938 90.5187 90.7172 90.8358 91.1432 91.2036 91.3481 91.6024 91.6352 91.7849 92.0004 92.2381 92.4458 92.5460 92.7209 92.7957 92.9174 93.0684 93.1969 93.3057 93.4229 93.4823 93.5960 93.7925 93.8341 94.1663 94.2741 94.3091 94.6101 94.8543 95.1326 95.3819 95.4134 95.4619 95.8950 96.1131 96.3165 96.4043 96.5183 96.5936 96.7152 96.8262 97.0352 97.3055 97.4163 97.5727 97.8595 98.0038 98.2351 98.6636 98.9399 99.0803 99.8333 100.0892 100.3379 100.7857 100.8652 101.0319 101.8192 102.0881 102.2845 102.5382 102.6887 102.8858 103.1488 103.2309 103.6324 104.0309 104.1873 104.3129 104.5368 104.7574 104.9688 105.5629 105.6991 106.1144 106.5514 106.5658 107.5018 107.8640 108.0987 108.2518 108.6444 108.7669 109.2648 109.6953 109.8557 110.5119 110.8447 110.9945 111.2803 111.6644 111.8720 112.0822 112.3836 112.4578 112.7595 113.1721 113.7183 113.7641 114.0022 114.5026 114.5249 115.0918 115.1666 115.2752 115.3395 115.4539 116.1026 116.2392 116.2872 116.4860 116.8806 117.0597 117.5937 118.3327 118.5451 118.7439 118.9116 119.1419 119.8115 119.9526 120.0895 120.6458 120.8635 121.3477 121.5219 122.1287 122.4175 122.8608 123.1057 123.7163 123.7888 124.5795 125.0255 125.3032 125.5141 126.1292 126.4247 126.5777 126.9855 127.7665 128.4753 128.6127 128.6994 129.0102 129.0826 129.6260 129.9235 130.1771 130.3682 130.4990 130.7831 131.1152 131.5377 132.1231 132.5126 132.9773 133.4394 133.6472 133.8171 134.6262 134.7046 135.1308 135.7214 136.4978 136.6015 136.8008 137.0113 137.1886 137.5832 138.0151 138.6586 139.1424 139.1976 139.5689 140.1572 140.2163 140.3515 140.7446 140.9636 141.1740 141.6755 141.8378 142.2278 142.3662 142.5050 142.5564 142.7549 143.3823 143.4767 143.6309 143.8083 144.4733 144.6437 144.7270 145.0516 145.1758 145.3924 146.0781 146.1824 146.6345 146.7321 147.1800 147.4235 147.5771 147.8982 148.4233 148.7934 149.0644 149.4430 150.1266 150.4437 150.5271 150.7685 151.9616 152.3569 152.6847 153.3209 153.7648 153.9709 154.3291 154.6717 154.9542 157.7952 158.2272 158.4710 160.6766 160.8645 161.5184 161.7951 164.0672 164.8758 165.1764 166.1798 166.5794 166.8751 167.3919 167.5974 169.3883 169.6605 174.7083 175.0329 177.4177 178.2364 182.0279 182.9373 186.4204 186.7424 187.2695 187.7969 195.6721 196.2259 196.4340 197.0007 245.2268 245.3823 248.8347 249.0005 259.5578 259.8001 547.1163 547.4122 609.5137 617.8890 618.9031 620.0686 622.9551 624.5905 625.2510 626.4562 626.6839 628.2300 630.6251 631.3944 635.0160 636.2432 636.6537 644.8968 645.6911 880.3051 881.5232 887.7793 888.0586 895.2265 895.5780 1205.7365 1207.3763 384.3508999999998 AuxInfo=1/0/N:34,30,33,29,32,35,41,31,7,8,18,10,16,9,19,13,15,4,3,12,14,11,17,6,5,2,1/E:(2,3)(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,24.1,25.1,26.1,27.1/rA:43nS1S1NNO1O1CC3C3C3NNC3NC3C3NC3C3HHHHHHHHHC3C3C3C3C3C3C3HHHHHC3HH/rB:;;;;;;s7;s6s8;s4s8;s9;s10;s2s11s12;;s1s14;s3s14;s15;s7s16;s5s17s18;s14;s12;s3;s3;s4;s4;s17;s11;s7;;s29;s29;s31;s32;s30s33;s31;s29;s30;s34;s33;s32;s7s35;s35;s41;/rC:3.8565,-4.0285,-3.056;-5.6871,-.7921,-.1606;1.3797,-.0429,-1.5584;-1.7986,-3.3302,1.4717;.9113,-4.1072,.8549;-1.1165,.8505,-.6929;.2058,-1.3292,.8662;-1.258,-1.1866,.5209;-1.7696,-.077,-.192;-2.1495,-2.184,.8868;-3.1537,-.0181,-.3439;-3.4909,-2.017,.6635;-4.0429,-.9392,.064;2.462,-1.9873,-2.1128;2.8052,-3.2891,-1.9958;1.6045,-1.3226,-1.2737;2.2221,-3.9286,-.9662;1.0575,-1.9916,-.1925;1.3532,-3.3644,-.0377;2.8627,-1.4857,-2.8953;-4.1294,-2.7515,.9416;1.7613,.3499,-2.406;.5573,.4147,-1.1537;-.8325,-3.6511,1.4025;-2.5031,-4.0313,1.6454;2.4376,-4.91,-.8443;-3.5135,.7956,-.8266;.2444,-2.0445,1.6962;.0311,3.0032,3.3133;.562,4.1171,3.9465;.8576,2.0267,2.751;2.2426,2.203,2.8473;2.7727,3.3146,3.4785;1.9368,4.2793,4.031;.2335,.88,2.0927;-1.0457,2.8806,3.2491;-.1021,4.8607,4.3743;2.3569,5.1484,4.5253;3.8495,3.4309,3.5425;2.916,1.4635,2.4287;.8607,-.102,1.4493;-.8532,.8644,2.1441;1.9457,-.1088,1.3874; -1931.82086939 2698.71373544 -4630.53460484 -8011.22512623 3380.69052140 -0.07015241 -3857.31393214 1925.49306275 2.00328633 103.999950633689 103.999950633689 207.999901267379 -149.815370225986 -7.238795617703 -157.054165843690 Epsilon 32.6130 Refrac 1.3288 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM S N O C H 2.4900 1.8900 1.5200 1.8500 1.2000 Solvent: METHANOL Soln 1.3288 Soln25 1.3265 Sola 0.4300 Solb 0.4700 Solg 31.7700 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2323 GEPOL Volume 2828.2000 GEPOL Surface-area 1473.5391 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.3s 0 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2421.3581 -2421.3546 -522.1662 -522.1578 -393.4602 -393.4464 -393.1461 -393.1352 -392.1591 -392.0723 -281.9999 -281.9956 -281.4488 -281.4158 -281.4084 -281.3667 -279.0852 -278.5920 -278.5752 -278.5174 -278.3319 -278.2347 -278.2207 -278.2008 -278.1940 -278.1852 -278.1357 -216.7085 -216.7050 -160.5711 -160.5676 -160.4323 -160.4288 -160.3549 -160.3515 -29.8855 -29.8281 -28.9105 -28.8283 -27.1313 -26.9840 -25.6181 -25.5335 -24.2278 -23.6859 -22.5748 -22.3452 -21.6892 -20.9624 -20.8451 -20.5005 -19.1358 -18.9910 -18.8251 -18.4706 -18.4140 -17.4036 -16.9980 -16.8146 -16.5674 -16.4630 -15.9138 -15.3029 -15.2568 -15.0290 -14.4869 -14.2494 -14.1612 -13.9142 -13.8551 -13.6897 -13.5585 -13.0439 -12.9345 -12.5566 -12.3083 -12.2809 -12.0008 -11.8360 -11.7054 -11.6795 -11.5065 -11.1215 -11.0057 -10.9100 -10.8096 -10.6313 -10.5637 -10.1078 -9.5959 -9.3683 -8.7039 -8.5724 -8.3965 -8.3343 -8.2285 -7.4230 -7.3564 -7.1736 -6.7078 -6.6887 -6.6328 -6.2976 -6.1435 -1.1709 -0.9707 -0.9226 -0.7482 -0.4515 -0.2391 -0.0910 0.1184 0.2488 0.4163 0.6175 0.6858 0.7424 0.7893 0.8762 0.9592 0.9998 1.0877 1.1728 1.2683 1.3662 1.4685 1.5516 1.5967 1.6736 1.7404 1.7912 1.9877 2.0418 2.1262 2.2140 2.2564 2.3252 2.3786 2.4182 2.4563 2.5243 2.6211 2.7344 2.7650 2.8560 2.9305 3.0007 3.0083 3.0406 3.1093 3.2085 3.2591 3.2859 3.3571 3.3922 3.4266 3.4853 3.5342 3.5702 3.6890 3.7040 3.7569 3.8073 3.8167 3.8426 3.8546 3.9841 4.0750 4.0892 4.1272 4.2283 4.2750 4.3460 4.3799 4.4114 4.4832 4.5024 4.5834 4.6006 4.6706 4.7085 4.7941 4.9519 4.9691 4.9953 5.0504 5.1538 5.1979 5.2138 5.2706 5.3309 5.3939 5.4318 5.4769 5.4907 5.5693 5.6354 5.6889 5.8075 5.8908 5.9412 5.9723 6.0313 6.0695 6.1528 6.2404 6.2570 6.2903 6.4245 6.4849 6.5699 6.6559 6.6943 6.7924 6.8138 6.8487 6.9282 6.9486 7.0800 7.1282 7.1853 7.2560 7.3799 7.4417 7.5031 7.5426 7.6414 7.6998 7.7574 7.7964 7.8708 7.9396 8.0044 8.0100 8.1873 8.2548 8.2566 8.3082 8.4054 8.4241 8.5398 8.5747 8.7392 8.7884 8.9438 9.0395 9.1569 9.2497 9.3018 9.4609 9.5750 9.6496 9.7824 9.8404 9.9752 10.0078 10.1771 10.3048 10.3442 10.5404 10.5860 10.7238 10.8321 10.8611 10.8922 10.9727 11.0390 11.1472 11.2794 11.3419 11.4321 11.5143 11.5656 11.7159 11.8898 11.9498 11.9693 12.0716 12.1527 12.2094 12.3373 12.4173 12.4680 12.5438 12.6228 12.7261 12.7641 12.8454 12.9522 12.9847 13.1058 13.2340 13.2648 13.3769 13.4036 13.4683 13.5906 13.8198 13.8581 13.9865 14.0676 14.2189 14.3388 14.4468 14.5311 14.6025 14.6602 14.7137 14.7823 14.8510 14.9057 14.9596 15.0419 15.0530 15.1534 15.3009 15.4151 15.4981 15.5636 15.6546 15.6889 15.8098 15.8580 16.0228 16.0734 16.2172 16.2543 16.2782 16.3163 16.3915 16.4786 16.5228 16.8192 16.8509 16.9410 17.0622 17.2053 17.2240 17.4334 17.4775 17.5710 17.6246 17.8414 17.9119 18.0020 18.1538 18.2295 18.3815 18.4984 18.5180 18.5738 18.7925 18.8786 19.0541 19.1040 19.2398 19.3214 19.4893 19.5636 19.6338 19.7604 19.8775 20.0130 20.0685 20.1792 20.4097 20.5160 20.6403 20.7157 20.8646 21.0494 21.1552 21.2049 21.3253 21.4086 21.5620 21.6004 21.7753 21.9329 22.0925 22.1549 22.2535 22.4056 22.5132 22.5778 22.6268 22.8159 23.0006 23.0824 23.2738 23.3136 23.5111 23.6484 23.7710 23.9310 24.0324 24.2379 24.3939 24.5871 24.8426 24.9206 25.0205 25.1912 25.2798 25.3833 25.6505 25.7208 25.9224 25.9251 26.0517 26.4282 26.7203 26.8242 27.0255 27.0888 27.5281 27.9110 28.0365 28.2444 28.4879 28.8972 29.1014 29.1201 29.4308 29.5637 29.8916 30.1415 30.1969 30.3805 30.7174 30.8555 30.9810 31.2085 31.4122 31.5362 32.1510 32.2721 32.4608 32.6055 32.9728 33.1615 33.3817 33.5623 33.7045 33.7961 33.9685 34.2383 34.3344 34.4580 34.6785 34.8218 35.0199 35.0753 35.2999 35.5737 35.6538 36.2558 36.4468 36.5688 36.6397 36.7621 36.9150 37.0269 37.1181 37.3127 37.5006 37.7856 37.9565 37.9928 38.1091 38.3077 38.4900 38.7900 38.8388 39.0203 39.3443 39.5034 39.9198 40.0741 40.2024 40.3752 40.6829 40.9195 41.2368 41.3384 41.5704 41.8808 41.9438 42.0076 42.0626 42.2127 42.2650 42.4102 42.5613 42.6568 42.7689 42.8975 42.9885 43.2428 43.2971 43.4284 43.5445 43.6259 43.9415 43.9700 44.2471 44.3013 44.4214 44.5197 44.6974 44.8288 44.8791 45.0661 45.1260 45.3229 45.5533 45.5992 45.7669 45.9163 45.9798 46.0730 46.1330 46.3895 46.4450 46.5547 46.5725 46.6268 46.7710 46.8673 47.0137 47.0456 47.1055 47.1520 47.2498 47.2560 47.5115 47.6086 47.8450 47.9140 48.0293 48.2976 48.3335 48.4073 48.6286 48.8809 49.0732 49.1657 49.3055 49.5570 49.6146 49.7180 49.7988 50.1139 50.2011 50.4868 50.5958 50.8803 51.0166 51.3421 51.4769 51.7214 51.8137 52.1848 52.2629 52.4496 52.6167 52.8429 53.0486 53.2277 53.3859 53.4523 53.5035 53.6520 53.7307 54.1100 54.1364 54.2561 54.4974 54.6858 54.7466 54.9323 55.1516 55.4247 55.6612 55.8713 55.9745 56.1058 56.3541 56.6703 56.7152 56.9625 57.1782 57.4358 57.4850 57.7824 57.8746 58.1956 58.3666 58.5240 58.6296 58.7070 58.8623 59.2172 59.4219 59.5083 59.7601 60.0818 60.2750 60.6832 60.9181 61.1470 61.3663 61.5743 61.8887 61.9831 62.1406 62.4600 62.5968 62.8521 63.1475 63.4196 63.7251 64.1730 64.3635 64.4511 64.6118 64.9976 65.1274 65.2859 65.4623 65.6107 65.8518 65.9214 66.0215 66.1649 66.3450 66.5552 66.7914 67.3778 67.7278 67.8898 68.2722 68.7696 68.8259 69.2735 69.4263 69.6526 69.7422 70.2573 70.5287 70.5896 70.8996 71.1667 71.2183 71.3702 71.6116 71.8852 72.0320 72.1365 72.3176 72.4086 72.8268 72.9086 72.9843 73.2351 73.3378 73.5912 73.7626 73.9176 73.9574 74.1081 74.4421 74.6249 74.6399 74.9495 75.0986 75.4108 75.5297 75.6583 75.7046 76.1003 76.1894 76.3232 76.4291 76.6459 76.9864 77.3217 77.4409 77.5946 77.8302 77.9710 78.1591 78.3868 78.5761 78.7972 78.9321 79.0384 79.1929 79.3405 79.6916 79.8199 79.9220 79.9661 80.1165 80.2879 80.3891 80.5275 80.8223 80.8809 81.1587 81.2562 81.4181 81.6097 81.7296 82.0604 82.1057 82.3135 82.4901 82.5645 82.7300 82.8935 83.3420 83.4541 83.5863 83.7091 83.8308 84.1801 84.3511 84.4962 84.5601 84.8367 85.1047 85.3066 85.4983 85.5249 85.7169 85.9280 86.1568 86.3790 86.4300 86.4929 86.5924 86.7607 86.9812 87.2570 87.4035 87.5651 87.7455 87.8763 87.9463 88.0105 88.1789 88.5801 88.8107 88.9012 89.0564 89.2079 89.2743 89.4620 89.6781 89.7070 89.8806 89.9624 90.0588 90.2270 90.4004 90.5133 90.7134 90.8395 91.1346 91.1945 91.3442 91.6093 91.6502 91.7626 92.0021 92.2255 92.4348 92.5278 92.7269 92.7884 92.9016 93.0516 93.1968 93.3057 93.4259 93.4899 93.5953 93.8013 93.8318 94.1577 94.2765 94.2947 94.6345 94.8619 95.1253 95.3791 95.4208 95.4721 95.8685 96.1170 96.3013 96.3491 96.5057 96.5759 96.6941 96.8077 97.0324 97.2886 97.4262 97.5549 97.8306 97.9948 98.2280 98.6496 98.9176 99.0654 99.8160 100.1020 100.3187 100.7521 100.8461 101.0137 101.8036 102.0688 102.2484 102.5321 102.6741 102.8589 103.1623 103.2043 103.6230 104.0129 104.1775 104.3116 104.5320 104.7423 104.9552 105.5345 105.6961 106.0877 106.5371 106.5710 107.4628 107.8495 108.0771 108.2327 108.6429 108.7416 109.2643 109.6858 109.8393 110.5249 110.7872 110.9923 111.2737 111.6804 111.8621 112.0709 112.3593 112.4278 112.7536 113.1578 113.6939 113.7637 113.9970 114.4880 114.4964 115.0926 115.1640 115.2630 115.3379 115.4477 116.0942 116.2188 116.2659 116.5096 116.8636 117.0407 117.5886 118.3159 118.5277 118.7217 118.8876 119.1362 119.7934 119.9283 120.0961 120.6065 120.8100 121.3274 121.5032 122.0923 122.4026 122.8548 123.0927 123.7084 123.7743 124.5594 124.9915 125.3005 125.5085 126.1291 126.4285 126.5419 126.9857 127.7755 128.4724 128.6164 128.6863 129.0081 129.0755 129.6209 129.9053 130.1568 130.3584 130.5025 130.7912 131.1428 131.5235 132.1285 132.5161 132.9677 133.4306 133.6393 133.8097 134.6152 134.6959 135.1306 135.7100 136.4933 136.5993 136.8162 137.0001 137.1911 137.6015 138.0180 138.6425 139.1340 139.1543 139.5640 140.1259 140.1924 140.3168 140.7305 140.9369 141.1660 141.6583 141.8250 142.2037 142.3679 142.4944 142.5605 142.7508 143.3554 143.4701 143.6512 143.7852 144.4455 144.6287 144.7219 145.0328 145.1981 145.4040 146.0792 146.1936 146.6553 146.7214 147.2051 147.4222 147.5764 147.8909 148.4132 148.7974 149.0706 149.4520 150.1185 150.4183 150.5350 150.7413 151.9545 152.3549 152.6912 153.3276 153.8118 154.0072 154.3408 154.6808 154.9596 157.7739 158.2280 158.4702 160.6567 160.8259 161.5256 161.7900 164.0743 164.8675 165.1975 166.2049 166.6566 166.9161 167.4087 167.5955 169.3999 169.6620 174.7736 175.0870 177.3607 178.1799 182.0558 182.9588 186.4979 186.8177 187.2866 187.8111 195.7019 196.2703 196.4567 197.0272 245.2256 245.3791 248.8286 248.9948 259.5347 259.7796 546.9447 547.2389 609.4855 617.8647 618.8843 620.0520 622.9276 624.5648 625.2157 626.4409 626.6846 628.2005 630.6171 631.3576 634.9946 636.2365 636.6376 644.9409 645.7339 880.2839 881.4990 887.8066 888.0823 895.2055 895.5709 1205.7553 1207.4005 0.0000000 0 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 S S N N O O C C C C N N C N C C N C C H H H H H H H H H C C C C C C C H H H H H C H H -0.561964 -0.560638 -0.494336 -0.564453 -0.652344 -0.585406 -1.142378 1.311371 0.388449 0.129928 -0.202817 -0.167295 0.191825 -0.172431 0.166202 0.127066 -0.224505 -0.259223 0.312742 0.321654 0.322255 0.323257 0.333132 0.329590 0.326360 0.319321 0.320744 0.170010 -0.130682 -0.053763 -0.558090 -0.178670 -0.047411 -0.102816 0.302439 0.177613 0.175061 0.175100 0.177469 0.174567 -0.296998 0.196789 0.183276 0 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 S S N N O O C C C C N N C N C C N C C H H H H H H H H H C C C C C C C H H H H H C H H 0.142686 0.143687 0.013224 0.007732 -0.104570 -0.086032 -0.184641 -0.130385 -0.379067 -0.254483 0.128098 0.131829 -0.615044 0.131993 -0.612758 -0.259432 0.128122 -0.132437 -0.373617 0.268330 0.268598 0.230918 0.228541 0.224348 0.230355 0.267182 0.267963 0.243827 -0.141946 -0.177957 -0.195366 -0.136853 -0.176478 -0.180965 -0.151783 0.195006 0.187102 0.185719 0.187176 0.194905 -0.135573 0.213184 0.208863 0 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 S S N N O O C C C C N N C N C C N C C H H H H H H H H H C C C C C C C H H H H H C H H 16.5620 16.5606 7.4943 7.5645 8.6523 8.5854 7.1424 4.6886 5.6116 5.8701 7.2028 7.1673 5.8082 7.1724 5.8338 5.8729 7.2245 6.2592 5.6873 0.6783 0.6777 0.6767 0.6669 0.6704 0.6736 0.6807 0.6793 0.8300 6.1307 6.0538 6.5581 6.1787 6.0474 6.1028 5.6976 0.8224 0.8249 0.8249 0.8225 0.8254 6.2970 0.8032 0.8167 16.0000 16.0000 7.0000 7.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 7.0000 7.0000 6.0000 7.0000 6.0000 6.0000 7.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 -0.5620 -0.5606 -0.4943 -0.5645 -0.6523 -0.5854 -1.1424 1.3114 0.3884 0.1299 -0.2028 -0.1673 0.1918 -0.1724 0.1662 0.1271 -0.2245 -0.2592 0.3127 0.3217 0.3223 0.3233 0.3331 0.3296 0.3264 0.3193 0.3207 0.1700 -0.1307 -0.0538 -0.5581 -0.1787 -0.0474 -0.1028 0.3024 0.1776 0.1751 0.1751 0.1775 0.1746 -0.2970 0.1968 0.1833 1.6567 1.6563 2.9862 3.0834 1.6947 1.6973 3.7249 -1.5224 4.1006 4.3135 3.2662 3.1949 4.0304 3.2086 4.0790 4.3820 3.2808 3.6626 3.9858 0.9055 0.9032 0.9114 0.9282 0.9223 0.9100 0.9063 0.9050 0.9524 3.9668 3.9562 4.5225 4.1711 4.0434 3.9005 3.0737 0.9522 0.9519 0.9533 0.9494 0.9587 4.8984 0.9300 0.9471 1.6567 1.6563 2.9862 3.0834 1.6947 1.6973 3.7249 -1.5224 4.1006 4.3135 3.2662 3.1949 4.0304 3.2086 4.0790 4.3820 3.2808 3.6626 3.9858 0.9055 0.9032 0.9114 0.9282 0.9223 0.9100 0.9063 0.9050 0.9524 3.9668 3.9562 4.5225 4.1711 4.0434 3.9005 3.0737 0.9522 0.9519 0.9533 0.9494 0.9587 4.8984 0.9300 0.9471 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.4440 1.4406 0.1725 -0.1638 1.2831 0.1158 0.9065 0.8301 0.1231 -0.5377 1.4287 0.2906 0.8445 0.9014 -0.1674 0.1972 1.3528 0.3695 -0.2014 1.4578 -0.1300 0.1328 -0.1803 -1.1014 0.2530 -0.1242 0.2788 -0.1269 0.4781 0.1845 0.8663 0.6834 -0.3775 2.3576 -0.1466 -0.1427 1.6109 1.5982 -0.5024 -0.6059 -0.2859 -0.1201 -0.1837 -0.2823 0.3386 -0.8829 0.1156 1.0143 -0.2254 1.1065 -0.3886 0.1082 1.2773 0.8809 1.2521 0.8762 1.2561 1.0541 0.1758 0.8817 1.2882 1.9625 0.1045 1.1267 0.8826 1.6044 0.1037 -0.1153 0.2608 -0.1119 -0.1011 0.2719 1.5062 1.3009 0.2295 0.1120 0.8614 1.3807 0.9209 1.3218 0.1412 0.8340 0.1298 1.5907 -0.1655 0.8348 0.1601 1.3635 0.8929 0.9255 -0.1137 1.8872 0.7778 0.1578 0.8478 0 14 1 12 2 6 2 7 2 15 2 17 2 21 2 22 3 6 3 7 3 9 3 17 3 23 3 24 4 7 4 17 4 18 5 6 5 7 5 8 5 17 5 34 5 40 6 7 6 9 6 11 6 15 6 16 6 17 6 22 6 27 6 30 6 34 6 40 6 41 6 42 7 8 7 9 7 15 7 17 7 18 7 24 7 27 7 30 7 34 7 40 7 41 8 10 8 17 9 11 9 17 9 40 10 12 10 26 11 12 11 20 13 14 13 15 13 17 13 19 14 16 15 17 15 40 16 18 16 25 17 18 17 23 17 34 17 42 22 40 27 34 27 40 28 29 28 30 28 31 28 33 28 35 29 33 29 36 30 31 30 32 30 34 30 39 31 32 31 34 31 39 31 40 32 33 32 38 33 37 34 39 34 40 34 41 40 41 40 42 -1931.880176064476 5.68039 -5.54351 0.13688 13.00953 -12.94768 0.06185 12.48375 -11.99900 0.48475 0.50749 1.28993