* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/12/01/2009src0518.mol"
Structure: 1
InChI=1/C15H12N6O2.CH4O/c1-22-11-6-4-10(5-7-11)14-16-12(13-17-19-20-18-13)15(23-14)21-8-2-3-9-21;1-2/h2-9H,1H3,(H,17,18,19,20);2H,1H3
AuxInfo=1/1/N:1,21,23,8,11,6,13,19,25,10,5,16,18,15,17,27,28,31,29,30,32,33,34;38,36/E:(2,3)(4,5)(6,7)(8,9)(17,18)(19,20);/rA:41nCHHHCCHCHCCHCHCCCCCHCHCHCHNNNNNNOOHOHCHHH/rB:s1;s1;s1;;d5;s6;s6;s8;d8;s10;s11;s5d11;s13;s10;;d16;s16;;s19;d19;s21;s21;s23;d23;s25;d15s16;s18;s28;d29;d18s30;s17s19s25;s1s5;s15s17;s28;;s36;s36;s38;s38;s38;/rC:11.8826,1.754,-.3209;11.3141,1.243,-.9345;12.6291,1.193,-.0245;12.2305,2.546,-.7809;10.0468,2.9893,.5821;9.6478,3.4285,-.6821;10.1173,3.1518,-1.4605;8.5491,4.278,-.7838;8.2719,4.5792,-1.6419;7.85,4.6934,.3413;8.2594,4.2357,1.6048;7.7835,4.4997,2.3836;9.3533,3.4022,1.7136;9.636,3.1078,2.5714;6.7028,5.5869,.2279;5.1218,6.9263,-.3194;5.0828,6.7986,1.0323;4.337,7.7031,-1.2604;3.4217,8.314,2.1;3.1276,8.8022,1.3396;3.0087,8.4976,3.3759;2.3713,9.1389,3.6677;3.6936,7.5669,4.204;3.5906,7.4729,5.1445;4.5153,6.8409,3.4179;5.0999,6.1513,3.7085;6.1712,6.1386,-.8155;4.5245,7.6489,-2.5842;3.6427,8.479,-3.1767;2.9533,9.0146,-2.2199;3.3539,8.561,-1.0037;4.3552,7.2809,2.1008;11.112,2.1635,.8139;6.0819,5.9369,1.402;5.0416,7.1328,-3.1236;1.1158,10.5697,-3.6704;1.7161,10.2821,-3.1579;.2377,9.5197,-4.0008;.1314,8.9274,-3.2266;.6066,9.0112,-4.7541;-.6346,9.8895,-4.2509;