* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/63/01/2007jmw0011.mol"
Structure: 1
InChI=1/C9H10N4.H2O/c10-9-4-2-1-3-8(9)5-13-7-11-6-12-13;/h1-4,6-7H,5,10H2;1H2
AuxInfo=1/0/N:14,12,16,10,5,1,3,8,9,21,20,19,18;24/rA:26nCHCHCHHCCCHCHCHCHNNNNHHOHH/rB:s1;;s3;;s5;s5;s5;s8;d9;s10;s10;s12;d12;s14;d8s14;s16;s3s5;d1s18;s1d3;s9;s21;s21;;s24;s24;/rC:1.375,2.7934,7.9718;.7155,3.4715,7.8832;2.4179,1.1419,8.7125;2.7008,.3956,9.2277;4.2803,1.1146,6.9835;4.0609,.8733,6.0487;4.5878,.2946,7.4451;5.392,2.1303,6.9849;6.1426,2.3813,8.137;7.1324,3.372,8.1004;7.6394,3.556,8.8824;7.3812,4.0825,6.949;8.0572,4.7499,6.9425;6.6505,3.8297,5.7978;6.8236,4.315,4.9997;5.6671,2.8607,5.8309;5.1637,2.6872,5.0442;3.0643,1.622,7.6526;2.4022,2.7027,7.1556;1.3205,1.8543,8.9483;5.883,1.735,9.3598;6.5924,1.657,9.8921;5.4972,.9365,9.3049;-.7689,1.6235,10.856;-.1539,1.5768,10.267;-1.0996,.854,11.0133;