* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/66/01/2007may0003.mol"
Structure: 1
InChI=1/C10H9N3O2/c14-10(15)9-4-2-1-3-8(9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)
AuxInfo=1/1/N:5,7,3,9,12,17,15,2,1,11,21,19,20,22,23/E:(14,15)/rA:24nCCCHCHCHCHCCHHCHCHNNNOOH/rB:d1;s2;s3;d3;s5;s5;s7;s1d7;s9;s1;s2;s12;s12;;s15;;s17;d17;s12s15s19;d15s17;s11;d11;s22;/rC:-3.5285,.9439,6.7639;-3.0487,.7166,5.4596;-2.3464,-.4526,5.2046;-2.0326,-.6219,4.3241;-2.0913,-1.3804,6.2037;-1.5957,-2.1673,6.0094;-2.563,-1.1535,7.4868;-2.389,-1.7826,8.1771;-3.2902,-.004,7.7592;-3.6301,.1395,8.6346;-4.2659,2.195,7.1204;-3.2786,1.6592,4.2986;-3.2809,1.1407,3.4552;-4.1675,2.0839,4.3965;-2.3916,4.02,4.1667;-3.2178,4.4843,4.233;-.3561,3.5368,3.9734;.5831,3.6354,3.8699;-.9364,2.361,4.0931;-2.2553,2.7016,4.2178;-1.2035,4.5984,4.0092;-4.9125,2.1032,8.2714;-4.2558,3.1991,6.4393;-5.2269,2.8947,8.5268;