* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/13/01/07skc0024p21c.mol"
Structure: 1
InChI=1/C4H7N2.C4H4O4/c1-4-2-5-3-6-4;5-3(6)1-2-4(7)8/h2-3,5-6H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
AuxInfo=1/1/N:17,15,12,14,21,23;2,4,1,6,7,8,9,11/E:;(1,2)(3,4)(5,6,7,8)/gE:;(1,2)/CRV:6.4;/rA:24nCCHCHCOOOHOCHCCHCHHHNHN4H/rB:s1;s2;d2;s4;s4;d1;s1;s6;s9;d6;;s12;;d14;s15;s14;s17;s17;s17;s12s15;s21;d12s14;s23;/rC:-1.1052,13.4019,6.0855;-2.1731,12.5634,5.4634;-3.0023,13.006,5.3252;-2.1404,11.2829,5.072;-2.9596,10.9554,4.7198;-1.0296,10.2801,5.0952;.0431,12.8893,6.3532;-1.3737,14.5903,6.3539;.1148,10.5995,5.5962;.0982,11.4026,5.8432;-1.2585,9.1575,4.6345;1.7258,8.0995,6.2121;1.7934,9.0313,6.3787;2.1342,5.9242,6.2383;1.0228,6.1482,5.4859;.4995,5.4879,5.0465;2.8552,4.6703,6.5824;2.4191,3.9115,6.1429;2.8378,4.5393,7.5537;3.785,4.7336,6.279;.7931,7.5139,5.4787;.138,7.9224,5.0574;2.5504,7.1722,6.6763;3.2528,7.3239,7.1841;