* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/71/01/06skc0048pna21.mol" Structure: 1 InChI=1/C5H9N2.C5H8O4/c1-5-6-3-4-7(5)2;6-4(7)2-1-3-5(8)9/h3-4,6H,1-2H3;1-3H2,(H,6,7)(H,8,9) AuxInfo=1/1/N:26,22,18,20,17,31,30;5,2,8,1,11,12,13,14,15/E:;(2,3)(4,5)(6,7,8,9)/gE:;(1,2)/CRV:6.4;/rA:32nCCHHCHHCHHCOOOOHCCHCHCHHHCHHHNN4H/rB:s1;s2;s2;s2;s5;s5;s5;s8;s8;s8;d1;s1;d11;s11;s15;;;s18;d18;s20;;s22;s22;s22;s17;s26;s26;s26;s17s20s22;d17s18;s31;/rC:4.9187,15.4105,1.2122;3.9083,16.0376,.29;4.3953,16.4908,-.4421;3.4151,16.7311,.7942;2.8907,15.0832,-.3308;3.3568,14.4332,-.9135;2.4276,14.5797,.3846;1.873,15.8637,-1.1477;1.3912,16.4839,-.5446;2.3569,16.413,-1.8153;.8574,15.0031,-1.8701;4.9697,14.169,1.312;5.6586,16.1942,1.8831;.7575,13.8118,-1.7091;.0354,15.6366,-2.681;.2071,16.4588,-2.6685;2.8917,9.4413,1.5337;3.7824,11.3158,.7696;4.3287,11.9155,.2751;2.8438,11.6523,1.6492;2.6056,12.5335,1.9072;1.1758,10.3843,3.0758;.3788,10.0387,2.6216;.9844,11.2723,3.4441;1.4256,9.7755,3.8028;2.617,8.0245,1.7559;3.3194,7.4867,1.3352;1.7492,7.7957,1.363;2.5983,7.8437,2.7186;2.2778,10.4804,2.1197;3.8199,9.9425,.7061;4.3651,9.4688,.2032;