* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/25/01/ssg0304.mol"
Structure: 1
InChI=1/C4H7N2.C4H6O6/c1-4-2-5-3-6-4;5-1(3(7)8)2(6)4(9)10/h2-3,5-6H,1H3;1-2,5-7,9H/q;-2/p-1/t;1-,2-/m.1/s1
AuxInfo=1/1/N:21,19,16,18,25,27;2,4,1,6,10,12,7,9,15,14/E:;(1,2)(3,4)(5,6)(7,9)(8,10)/it:;im/CRV:6.4;8-1.2,10-1.2/rA:28nCCHCHCOHO2-OHOHO2-O-CHCCHCHHHNHN4H/rB:s1;s2;s2;s4;s4;s1;s7;d1;s2;s10;s4;s12;d6;s6;;s16;;d18;s19;s18;s21;s21;s21;s16s19;s25;d16s18;s27;/rC:.46,8.183,5.449;1.968,8.468,5.496;2.111,9.456,5.431;2.621,7.959,6.776;2.122,8.329,7.56;4.078,8.456,6.839;-.148,8.46,6.571;-.954,8.228,6.518;-.083,7.774,4.448;2.636,7.84,4.419;2.312,8.111,3.693;2.481,6.553,6.772;2.708,6.247,7.521;5.011,7.619,6.662;4.226,9.667,7.071;-2.369,5.685,3.869;-2.103,6.546,3.566;-2.866,3.527,3.901;-3.02,4.021,5.154;-3.294,3.534,5.922;-3.055,2.171,3.325;-3.112,1.513,4.049;-2.295,1.952,2.744;-3.882,2.151,2.799;-2.704,5.368,5.106;-2.723,5.923,5.79;-2.466,4.594,3.118;-2.301,4.555,2.256;