* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/63/01/06skc0034p21c.mol"
Structure: 1
InChI=1/C4H7N2.C3H4O4/c1-6-3-2-5-4-6;1-7-3(6)2(4)5/h2-5H,1H3;1H3,(H,4,5)
AuxInfo=1/1/N:17,13,15,11,22,21;3,2,1,9,10,7,8/E:;(4,5)/CRV:5.4;/rA:23nCCCHHHOOOOCHCHCHCHHHNN4H/rB:s1;;s3;s3;s3;d1;s1s3;s2;d2;;s11;;s13;d13;s15;;s17;s17;s17;s11s15s17;d11s13;s22;/rC:2.088,10.6365,4.5758;3.3986,11.2483,5.1713;.1975,11.0606,3.245;.3415,10.2561,2.704;-.1847,11.7673,2.6842;-.4198,10.8565,3.9782;1.6851,9.5305,4.8216;1.4655,11.5095,3.7911;4.068,10.4355,5.8713;3.6498,12.4248,4.9241;7.2649,11.3484,7.4599;7.4727,10.4481,7.681;6.2401,13.1222,6.6773;5.5931,13.6736,6.252;7.3835,13.5413,7.2678;7.6948,14.4357,7.3349;9.2808,12.4005,8.4806;9.1229,12.6273,9.4208;9.8894,13.0582,8.0843;9.6814,11.5076,8.4227;8.0051,12.4129,7.7524;6.1859,11.7601,6.8051;5.5416,11.2422,6.5028;