* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/90/01/06skc0053c2c.mol"
Structure: 1
InChI=1/C4H7N2.C2H2O4.H2O/c1-4-2-5-3-6-4;3-1(4)2(5)6;/h2-3,5-6H,1H3;3,5H;1H2/q;-2;/p-2
AuxInfo=1/1/N:12,10,7,9,16,18;1,4,3,2,6,5;20/E:;(1,2)(3,5)(4,6);/CRV:6.4;4-1.2,6-1.2;/rA:22nCO2-O-CO2-O-CHCCHCHHHNHN4HOHH/rB:d1;s1;s1;d4;s4;;s7;;d9;s10;s9;s12;s12;s12;s7s10;s16;d7s9;s18;;s20;s20;/rC:1.063,4.048,5.373;.609,4.105,6.54;.962,4.926,4.492;1.845,2.739,4.995;2.299,2.682,3.828;1.946,1.861,5.876;-.167,5.677,11.898;-.904,6.046,12.37;1.417,5.364,10.388;1.512,4.392,11.328;2.152,3.689,11.346;2.207,5.626,9.159;3.039,5.11,9.188;2.417,6.582,9.103;1.685,5.36,8.372;.517,4.606,12.251;.361,4.109,12.96;.351,6.152,10.772;.059,6.86,10.338;-1.267,5.743,7.776;-1.965,5.277,8.118;-.568,5.277,7.434;