* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/07/01/2009src0462.mol"
Structure: 1
InChI=1/C15H11N3O2/c1-19-12-6-4-11(5-7-12)14-17-13(10-16)15(20-14)18-8-2-3-9-18/h2-9H,1H3
AuxInfo=1/0/N:23,16,18,2,9,4,7,14,20,22,1,6,13,11,12,29,27,28,31,30/E:(2,3)(4,5)(6,7)(8,9)/rA:31nCCHCHCCHCHCCCCHCHCHCHCCHHHNNNOO/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;s1;;d12;;s14;d14;s16;s16;s18;d18;s20;s13;;s23;s23;s23;d11s13;s12s14s20;t22;s11s12;s6s23;/rC:-1.3729,1.4899,5.7252;-1.5553,2.6808,5.0104;-1.0303,2.8597,4.2393;-2.5011,3.5912,5.4314;-2.6309,4.3936,4.94;-3.2673,3.3477,6.5664;-3.1058,2.158,7.2827;-3.6408,1.9743,8.0457;-2.1464,1.2505,6.8549;-2.016,.4467,7.345;-.4022,.4891,5.3148;1.2063,-.2837,4.0847;.8409,-1.2186,5.0066;2.3965,.8891,2.2758;1.9492,1.7263,2.3083;3.411,.55,1.4452;3.803,1.1143,.7895;3.7891,-.7878,1.7203;4.4792,-1.2749,1.2857;2.9928,-1.2491,2.7141;3.0188,-2.1189,3.0962;1.3438,-2.5383,5.2098;-4.9935,4.1062,8.0394;-5.469,3.2571,7.9205;-5.6426,4.8371,8.1139;-4.4523,4.0662,8.8558;-.2048,-.6996,5.7867;2.1312,-.2224,3.0742;1.7334,-3.6065,5.3696;.4366,.8104,4.2624;-4.1413,4.3385,6.9125;