* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/37/01/2009src0064.mol"
Structure: 1
InChI=1/C13H14N4OS/c18-12(11-3-1-10-19-11)16-6-8-17(9-7-16)13-14-4-2-5-15-13/h1-5,10H,6-9H2
AuxInfo=1/0/N:24,3,22,1,5,11,14,8,17,26,21,20,7,28,29,31,30,32,33/E:(4,5)(6,7)(8,9)(14,15)/rA:33nCHCHCHCCHHCHHCHHCHHCCCHCHCHNNNNOS/rB:s1;s1;s3;d3;s5;;;s8;s8;s8;s11;s11;;s14;s14;s14;s17;s17;;s20;d21;s22;s22;s24;d24;s26;d1s7;s5d7;s7s8s17;s11s14s20;d20;s21s26;/rC:3.1152,5.0702,10.0578;2.5314,4.5815,10.6261;4.3539,5.4385,10.5485;4.6314,5.2229,11.4307;5.1627,6.1397,9.6768;6.0242,6.4059,9.9745;3.5623,6.0591,8.0587;4.0532,7.0066,5.8246;4.8829,7.3004,6.2776;3.6273,7.8037,5.4192;4.4005,6.0069,4.7308;4.9336,6.455,4.0274;4.9452,5.2735,5.1115;2.2667,4.8731,5.1443;2.7012,4.0913,5.5683;1.4373,4.5616,4.7018;1.9204,5.9049,6.2087;1.4092,6.6483,5.8007;1.3559,5.4883,6.9076;2.6776,5.7269,2.9147;3.6114,6.155,1.8482;4.9024,5.7929,1.5872;5.4073,5.2091,2.1413;5.4095,6.3821,.3991;6.2898,6.2379,.0725;4.4965,7.173,-.2187;4.6671,7.6541,-1.0196;2.6976,5.3671,8.8207;4.7934,6.4611,8.438;3.1457,6.4197,6.8077;3.1702,5.4569,4.1438;1.4839,5.5597,2.6388;2.9998,7.2029,.6146;