* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/96/01/06skc0073p21n.mol"
Structure: 1
InChI=1/C5H8O4.C2H10N2/c6-4(7)2-1-3-5(8)9;3-1-2-4/h1-3H2,(H,6,7)(H,8,9);1-2H2,3-4H3
AuxInfo=1/1/N:5,2,8,1,11,12,13,14,15;16,19,22,26/E:(2,3)(4,5)(6,7,8,9);(1,2)(3,4)/gE:(1,2);/CRV:;3.4,4.4/rA:29nCCHHCHHCHHCOOOOCHHCHHN4HHHN4HHH/rB:s1;s2;s2;s2;s5;s5;s5;s8;s8;s8;d1;s1;s11;d11;;s16;s16;s16;s19;s19;s16;s22;s22;s22;s19;s26;s26;s26;/rC:1.4736,3.516,-.393;2.1804,2.8718,.7826;2.7946,3.536,1.1845;1.505,2.6369,1.4672;2.9715,1.6302,.4381;3.4019,1.7589,-.4435;2.3478,.8652,.3603;4.0421,1.2908,1.465;4.6506,.6235,1.0607;4.5739,2.1086,1.6316;3.5886,.7553,2.7952;1.2278,2.8342,-1.4132;1.1774,4.7333,-.2798;4.4999,.646,3.6807;2.4083,.4268,3.0003;2.9509,-2.2604,5.0457;3.1833,-2.4863,4.1114;2.0342,-1.8864,5.0483;2.9711,-3.5124,5.8721;2.5261,-4.2391,5.368;3.9111,-3.7819,6.0258;3.8956,-1.2295,5.5452;4.7141,-1.6059,5.6747;3.5884,-.8919,6.3326;3.9641,-.5592,4.9337;2.2958,-3.3484,7.1783;2.7035,-2.6842,7.6482;2.347,-4.1268,7.6464;1.4222,-3.1323,7.044;