* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/06/01/2009src0459.mol"
Structure: 1
InChI=1/C10H13N3O/c11-6-8-9(12)14-10(13-8)7-4-2-1-3-5-7/h7H,1-5,12H2
AuxInfo=1/0/N:9,6,12,3,15,21,1,20,19,18,24,23,22,25/E:(2,3)(4,5)/rA:27nCHCHHCHHCHHCHHCHHCCCCNNNOHH/rB:s1;s1;s3;s3;s3;s6;s6;s6;s9;s9;s9;s12;s12;s1s12;s15;s15;s1;;d19;s20;d18s20;s19;t21;s18s19;s23;s23;/rC:4.0309,2.8698,4.0687;3.1098,2.8081,3.684;3.9998,2.1973,5.4497;3.7504,1.244,5.3491;4.9002,2.2382,5.8588;2.9888,2.8995,6.3599;2.0762,2.7651,5.9994;3.0235,2.4929,7.2614;3.2712,4.3925,6.4696;2.5524,4.8246,6.9957;4.1265,4.5301,6.9494;3.3514,5.0448,5.0967;3.6019,5.9969,5.2008;2.4613,5.0094,4.6648;4.3757,4.3484,4.2005;4.3773,4.7713,3.3055;5.2801,4.446,4.5907;4.9532,2.1685,3.1364;5.6016,.4238,1.983;6.439,1.4885,1.7593;7.5657,1.5429,.9062;5.9925,2.5942,2.5148;5.5419,-.8297,1.5524;8.4817,1.5621,.2124;4.6515,.8398,2.8692;4.9552,-1.3858,1.8783;6.1608,-1.1267,.9932;