* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/23/01/ssg0301.mol"
Structure: 1
InChI=1/C8H11N2O4/c1-9-2-3-10(5-9)6(8(13)14)4-7(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)(H,13,14)/t6-/m1/s1
AuxInfo=1/1/N:14,12,10,2,8,5,1,7,18,19,20,21,23,24/E:(11,12)(13,14)/it:im/CRV:10.4/rA:24nCCHHCHCCHCHCHCHHHNN4OOHOO/rB:s1;s2;s2;s2;s5;s5;;s8;;s10;d10;s12;;s14;s14;s14;s8s12s14;s5d8s10;d1;s1;s21;s7;d7;/rC:-3.3535,1.2966,11.6096;-1.9069,1.3355,11.1333;-1.7273,2.2088,10.7014;-1.7643,.6255,10.4591;-.9384,1.135,12.2935;-1.1166,1.8401,12.9801;.5128,1.3016,11.7854;-1.1659,-1.3455,12.281;-1.0279,-1.4664,11.3493;-1.3965,-.4068,14.2496;-1.4597,.251,14.9321;-1.5175,-1.7407,14.4019;-1.664,-2.203,15.2187;-1.4574,-3.7415,12.8403;-2.395,-4.0249,12.8112;-.9832,-4.2502,13.5311;-1.0394,-3.9039,11.9695;-1.3888,-2.3099,13.156;-1.1651,-.1848,12.9123;-3.6751,1.7506,12.6853;-4.157,.6918,10.7526;-4.8425,.4209,11.1555;1.2176,.2717,11.6746;.8212,2.4656,11.4753;