* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/73/01/2007may0014.mol"
Structure: 1
InChI=1/C10H9NOS/c12-7-8-3-4-9(11-6-8)10-2-1-5-13-10/h1-6,12H,7H2
AuxInfo=1/0/N:15,13,5,7,17,10,1,4,9,12,19,20,22/rA:22nCHHCCHCHCCHCCHCHCHNOHS/rB:s1;s1;s1;s4;s5;d5;s7;s7;d4;s10;s9;d12;s13;s13;s15;d15;s17;d9s10;s1;s20;s12s17;/rC:8.9106,5.4893,-2.1695;8.4215,4.7688,-2.6404;8.4437,6.3428,-2.3529;8.8794,5.2191,-.6877;9.4514,6.1165,.2125;9.8611,6.9134,-.1032;9.4199,5.8406,1.5709;9.7949,6.4474,2.1982;8.8256,4.6529,1.9963;8.2945,4.0934,-.1635;7.8931,3.4817,-.7695;8.8074,4.2791,3.4183;9.4272,4.8849,4.4935;9.949,5.6755,4.4214;9.2047,4.2081,5.7072;9.561,4.4872,6.5425;8.4193,3.1067,5.546;8.1586,2.5357,6.2591;8.2489,3.7926,1.1565;10.2327,5.5641,-2.6808;10.536,4.7665,-2.7141;7.9563,2.8666,3.923;