* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/44/01/2007src1287.mol"
Structure: 1
InChI=1/C18H14N4O/c19-17-16-15(21-22(17)13-9-5-2-6-10-13)11-14(20-18(16)23)12-7-3-1-4-8-12/h1-11H,19H2,(H,20,23)
AuxInfo=1/1/N:13,24,11,15,22,26,9,17,20,28,4,8,19,6,3,2,7,1,34,30,32,33,37/E:(3,4)(5,6)(7,8)(9,10)/rA:37nCCCCHCCCCHCHCHCHCHCCHCHCHCHCHNHNNNHHO/rB:s1;s2;s3;s4;d4;d2;s6;s8;s9;d9;s11;s11;s13;d13;s15;d8s15;s17;;d19;s20;s20;s22;d22;s24;s24;s26;s19d26;s28;s1s6;s30;d3;s7s19s32;s7;s34;s34;d1;/rC:2.7442,6.6129,1.3077;3.7239,6.6219,2.3408;4.8639,7.4573,2.3199;4.9736,8.4463,1.2812;5.6839,9.0771,1.2748;4.0298,8.4451,.3155;3.9065,5.7481,3.4056;4.0573,9.3744,-.843;4.4434,10.7068,-.6659;4.7123,11.0097,.1934;4.4364,11.5867,-1.7334;4.6857,12.4934,-1.5987;4.0687,11.1553,-2.9973;4.0626,11.7619,-3.7284;3.7094,9.8292,-3.1846;3.4718,9.5249,-4.0526;3.6934,8.9452,-2.1221;3.4339,8.0421,-2.262;5.8404,5.3696,4.9469;7.1774,5.0969,4.7163;7.6072,5.4237,3.9346;7.8821,4.3403,5.6413;8.8004,4.147,5.4934;7.2511,3.8649,6.7809;7.7335,3.3398,7.4087;5.9151,4.158,7.0009;5.4838,3.8302,7.7813;5.2028,4.9242,6.0939;4.292,5.1411,6.2551;2.9649,7.5403,.3202;2.3993,7.5667,-.3535;5.733,7.1436,3.2843;5.103,6.0901,3.9533;3.0818,4.7461,3.8564;2.4534,4.5908,3.2498;3.5108,4.0154,4.1321;1.7813,5.8221,1.2674;