* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/26/01/ssg0306.mol"
Structure: 1
InChI=1/C4H6O6.C3H6N2O/c5-1(3(7)8)2(6)4(9)10;6-3-4-1-2-5-3/h1-2,5-6H,(H,7,8)(H,9,10);1-2H2,(H2,4,5,6)/t1-,2-;/m1./s1
AuxInfo=1/1/N:2,4,1,6,10,12,7,8,14,16;18,21,17,26,24,28/E:(1,2)(3,4)(5,6)(7,8,9,10);(1,2)(4,5)/gE:(1,2);/it:im;/rA:28nCCHCHCOOHOHOHOHOCCHHCHHNHNHO/rB:s1;s2;s2;s4;s4;d1;s1;s8;s2;s10;s4;s12;s6;s14;d6;;;s18;s18;s18;s21;s21;s17s21;s24;s17s18;s26;d17;/rC:3.0424,10.2957,1.6606;2.3385,8.9763,1.9432;2.9843,8.2401,1.7424;2.0548,8.9456,3.4548;2.9324,8.9316,3.9341;1.2932,7.6885,3.8358;4.2022,10.478,2.0009;2.2973,11.1914,1.0677;2.7355,11.9015,.9721;1.1799,8.7571,1.16;.6138,9.3556,1.3231;1.3524,10.0988,3.8654;.5418,10.0198,3.6608;2.0039,6.595,3.6595;1.5467,5.9253,3.8792;.1488,7.7223,4.2323;-.0268,4.308,5.3121;-1.703,5.0509,6.7294;-2.6408,5.3156,6.5544;-1.3779,5.5122,7.5431;-1.5569,3.5204,6.8484;-1.4655,3.2392,7.7926;-2.3293,3.0518,6.4426;-.3244,3.2673,6.0948;.1533,2.5313,6.1507;-.8428,5.3222,5.5765;-.8641,6.069,5.1133;.9105,4.3331,4.4565;