* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/05/01/2009src0464p21n.mol"
Structure: 1
InChI=1/C10H6FN3O/c11-7-3-1-6(2-4-7)10-14-8(5-12)9(13)15-10/h1-4H,13H2
AuxInfo=1/0/N:4,7,2,9,14,6,1,13,12,11,19,17,16,15,18/E:(1,2)(3,4)/rA:21nCCHCHCCHCHCCCCNNNOFHH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;s6;;d12;s13;d11s13;s12;t14;s11s12;s1;s16;s16;/rC:3.5825,1.4829,5.1902;4.0916,2.7497,4.9842;3.608,3.3959,4.4832;5.3334,3.0518,5.5313;5.7054,3.9171,5.4089;6.0367,2.0894,6.2599;5.4862,.8189,6.4479;5.9635,.1654,6.9457;4.2433,.5083,5.9109;3.8591,-.3515,6.0359;7.3463,2.4006,6.8234;8.941,3.7633,7.4634;9.2603,2.4629,7.7762;10.388,1.9741,8.4754;8.2242,1.6101,7.3438;9.5248,4.9445,7.6033;11.2894,1.5527,9.0585;7.7163,3.7376,6.851;2.3742,1.1789,4.65;9.0402,5.669,7.4685;10.3161,4.9673,7.9843;