* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/98/01/2008lsh119.mol"
Structure: 1
InChI=1/C5H7N2.C2F3O2/c6-5-2-1-3-7-4-5;3-2(4,5)1(6)7/h1-4,7H,6H2;
AuxInfo=1/0/N:6,4,8,1,3,13,12;10,11,16,17,18,14,15/E:;(3,4,5)(6,7)/CRV:7.4;6d/rA:21nCHCCHCHCHCCN4NO.2OFFFHHH/rB:s1;d1;s3;s4;d4;s6;s6;s8;;s10;s1d8;s3;s10;d10;s11;s11;s11;s13;s13;s12;/rC:9.6401,3.5301,8.4654;8.9509,4.008,8.0191;10.8617,4.1617,8.7457;11.8377,3.3982,9.4143;12.6782,3.7879,9.6245;11.5838,2.0897,9.7666;12.2461,1.5829,10.2217;10.3632,1.5148,9.4569;10.1816,.6114,9.6881;6.257,.3265,8.4723;6.7608,-.6571,9.5511;9.4436,2.2543,8.8262;11.0677,5.4572,8.4066;6.9595,1.3232,8.2324;5.1567,.0057,7.9935;8.0572,-.5423,9.8257;6.5621,-1.9352,9.2158;6.0939,-.4604,10.6945;11.903,5.7661,8.4183;10.4908,5.877,7.8346;8.6349,1.914,8.6501;