* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/15/01/07skc0027pna21.mol"
Structure: 1
InChI=1/C4H7N2.C3H4O4/c1-4-5-2-3-6-4;4-2(5)1-3(6)7/h2-3,5-6H,1H3;1H2,(H,4,5)(H,6,7)
AuxInfo=1/1/N:16,12,14,11,22,20;2,1,5,6,7,9,10/E:(2,3)(5,6);(2,3)(4,5,6,7)/gE:;(1,2)/CRV:5.4;/rA:23nCCHHCOOHOOCCHCHCHHHNHN4H/rB:s1;s2;s2;s2;d1;s1;s7;d5;s5;;;s12;d12;s14;s11;s16;s16;s16;s11s14;s20;d11s12;s22;/rC:9.9699,6.5457,1.1018;10.4044,7.7856,1.8704;10.8942,7.4864,2.6769;11.0482,8.2812,1.3054;9.3329,8.7544,2.3132;10.8068,5.691,.8188;8.7305,6.4653,.7761;8.3281,7.1573,1.0299;8.1258,8.5113,1.9095;9.6376,9.725,3.0047;9.2663,2.9961,-1.1307;10.8965,1.6252,-1.7146;11.3632,.8902,-2.0942;11.4299,2.6295,-1.0117;12.3485,2.738,-.795;7.9327,3.5833,-.9441;8.0223,4.4754,-.546;7.4038,3.011,-.3499;7.4843,3.6562,-1.8123;10.4021,3.473,-.661;10.4895,4.2136,-.1961;9.541,1.859,-1.7838;8.9536,1.3465,-2.1906;