* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/36/01/2009src0062p21c.mol" Structure: 1 InChI=1/C14H17N5O/c1-17-7-2-4-12(17)13(20)18-8-10-19(11-9-18)14-15-5-3-6-16-14/h2-7H,8-11H2,1H3 AuxInfo=1/0/N:29,25,16,23,14,18,27,4,7,1,10,22,21,20,33,34,36,13,35,37/E:(5,6)(8,9)(10,11)(15,16)/rA:37nCHHCHHCHHCHHNCHCHCHCCCCHCHCHCHHHNNNNO/rB:s1;s1;s1;s4;s4;;s7;s7;s7;s10;s10;s4s7;;s14;d14;s16;s16;s18;;s13;s21;d22;s23;s23;s25;d25;s27;;s29;s29;s29;s14d20;d18s20;s1s10s20;s22s27s29;d21;/rC:5.1373,3.5682,3.8514;5.7182,3.9962,3.1734;4.5971,4.2763,4.2842;4.2226,2.5801,3.1758;3.6116,3.0581,2.5606;4.7575,1.9394,2.6432;4.2642,1.1935,5.1989;4.8109,.4863,4.7736;3.6842,.7688,5.8795;5.1636,2.203,5.8585;4.6158,2.8577,6.359;5.7582,1.7439,6.5033;3.4359,1.8498,4.1855;9.1209,1.3562,5.1472;9.5877,.7787,5.7402;9.7773,1.8211,4.0376;10.6762,1.5779,3.8502;9.0624,2.6606,3.2029;9.4902,2.9974,2.4238;7.2552,2.5135,4.5615;2.0983,1.9082,4.3384;1.2873,2.4889,3.2449;1.3527,2.2983,1.885;2.0234,1.8153,1.4165;.2469,2.9473,1.313;.0265,2.9801,.3896;-.4492,3.5206,2.3301;-1.2375,4.0422,2.2339;-.258,3.7506,4.8093;-1.0056,4.3716,4.6836;.4915,4.2221,5.231;-.5419,3.0089,5.3839;7.8581,1.6782,5.4344;7.8056,3.0195,3.4409;5.973,2.9037,4.8624;.1654,3.2265,3.5099;1.5304,1.4391,5.3358;