* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/54/01/04skc0002a.mol"
Structure: 1
InChI=1/C4H7N2.C4H6O6/c1-4-5-2-3-6-4;5-1(3(7)8)2(6)4(9)10/h2-3,5-6H,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
AuxInfo=1/1/N:21,17,19,16,27,25;2,4,1,6,10,12,7,9,14,15/E:(2,3)(5,6);(1,2)(3,4)(5,6)(7,8,9,10)/gE:;(1,2)/it:;im/CRV:5.4;/rA:28nCCHCHCOHOOHOHOOCCHCHCHHHNHN4H/rB:s1;s2;s2;s4;s4;s1;s7;d1;s2;s10;s4;s12;d6;s6;;;s17;d17;s19;s16;s21;s21;s21;s16s19;s25;d16s17;s27;/rC:6.7711,8.5833,7.6876;5.3108,8.1815,7.5512;4.9271,8.0385,8.4636;4.5517,9.3193,6.8665;4.4974,10.0883,7.5035;3.1283,8.8888,6.5114;7.6105,7.9058,6.9816;8.3933,8.1417,7.1756;7.0575,9.5111,8.4438;5.1388,6.9913,6.786;5.3496,6.3253,7.2528;5.2721,9.7395,5.7232;4.7983,9.6337,5.0385;2.7787,8.8874,5.3336;2.3829,8.5744,7.5191;9.809,12.1069,4.9358;7.7984,11.2422,4.5577;7.0446,10.8909,4.099;7.9359,11.3894,5.8876;7.2965,11.1616,6.5517;11.179,12.6379,4.736;11.3425,12.7686,3.7785;11.8317,12.0017,5.0952;11.2687,13.4955,5.2029;9.1884,11.9362,6.1029;9.5239,12.1405,6.8904;8.9705,11.7047,3.9914;9.1361,11.7297,3.1275;