* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/27/01/ssg0307.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-;/m0./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:6.013,6.0179,-.975;6.1272,5.2277,.3326;5.9581,5.8673,1.0831;7.5841,4.7667,.4448;8.1871,5.5607,.5242;7.7372,3.8732,1.6705;6.6736,7.0104,-1.1772;5.1558,5.4864,-1.8287;5.1698,5.9218,-2.5461;5.2121,4.1672,.4709;5.4166,3.5497,-.0603;7.8807,4.054,-.7364;8.7129,4.0259,-.8457;7.6299,4.5597,2.7956;7.8002,4.0577,3.4466;7.9365,2.681,1.6163;4.0593,2.4776,4.8185;5.895,1.1463,5.3051;5.7118,.3393,5.8485;6.8546,1.379,5.379;5.478,.9438,3.8417;6.1402,1.3393,3.2201;5.3659,-.0169,3.6293;4.2048,1.6522,3.779;3.6094,1.5487,3.1398;5.0421,2.2641,5.7042;5.1595,2.7382,6.4366;3.1366,3.3304,4.9493;