* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/61/01/06skc0028pccn.mol"
Structure: 1
InChI=1/C5H9N2.C4H6O4/c1-5-6-3-4-7(5)2;5-3(6)1-2-4(7)8/h3-4,6H,1-2H3;1-2H2,(H,5,6)(H,7,8)
AuxInfo=1/1/N:23,19,15,17,14,28,27;2,5,1,8,9,10,12,13/E:;(1,2)(3,4)(5,6,7,8)/gE:;(1,2)/CRV:6.4;/rA:29nCCHHCHHCOOHOOCCHCHCHHHCHHHNN4H/rB:s1;s2;s2;s2;s5;s5;s5;d1;s1;s10;s8;d8;;;s15;d15;s17;;s19;s19;s19;s14;s23;s23;s23;s14s17s19;d14s15;s28;/rC:11.5665,1.9932,9.3505;10.6761,1.2587,10.3121;10.6732,.2992,10.0697;9.7514,1.5961,10.2058;11.0733,1.3866,11.7706;11.1671,2.3483,11.9873;10.3378,1.0264,12.3284;12.3581,.6808,12.1545;12.4373,2.7732,9.6769;11.2753,1.7005,8.0956;11.8461,2.0483,7.5877;12.8287,.9911,13.3079;12.8614,-.161,11.4049;14.6234,3.9716,13.4192;15.409,3.593,15.4493;15.9965,3.3423,16.1525;14.1614,4.0547,15.5811;13.6939,4.1914,16.3967;12.3698,4.8597,14.006;12.2721,4.9715,13.0374;12.2844,5.7317,14.4454;11.6733,4.2561,14.3373;14.5038,4.0267,11.957;13.8873,3.3298,11.6532;15.3853,3.8834,11.5521;14.161,4.9053,11.6911;13.6789,4.2966,14.2987;15.6847,3.5481,14.088;16.443,3.2812,13.7281;