* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/73/01/06skc0051p21c.mol"
Structure: 1
InChI=1/C4H7N2.2C4H6O4/c1-4-2-5-3-6-4;2*5-3(6)1-2-4(7)8/h2-3,5-6H,1H3;2*5,7H,1-2H2/q;2*-2/p-2
AuxInfo=1/1/N:20,18,15,17,24,26;2,9,1,8,6,5,13,12;29,35,28,34,33,32,39,38/E:;2*(1,2)(3,4)(5,7)(6,8)/CRV:6.4;2*6-1.2,8-1.2/rA:39nCCHHO2-OHCCHHO2-OHCHCCHCHHHNHN4HCCHHO2-O-CCHHO2-O-/rB:s1;s2;s2;d1;s1;s6;;s2s8;s9;s9;d8;s8;s13;;s15;;d17;s18;s17;s20;s20;s20;s15s18;s24;d15s17;s26;;s28;s29;s29;d28;s28;;s29s34;s35;s35;d34;s34;/rC:-.418,-.58,12.139;.218,.347,13.138;-.423,1.067,13.36;1.014,.768,12.725;-.646,-1.748,12.355;-.724,.038,11.015;-1.055,-.513,10.475;1.278,.58,15.419;.641,-.347,14.42;1.282,-1.067,14.198;-.154,-.768,14.833;1.505,1.748,15.203;1.583,-.038,16.543;1.915,.513,17.083;.163,4.484,9.239;-.297,5.027,8.609;1.131,3.784,11.092;1.221,2.801,10.167;1.631,1.953,10.287;1.614,3.853,12.496;.847,3.87,13.105;2.147,4.667,12.619;2.168,3.067,12.691;.613,3.256,9.017;.535,2.807,8.263;.46,4.826,10.481;.262,5.596,10.858;-.659,7.34,12.63;-1.344,8.624,13.039;-2.174,8.722,12.509;-.752,9.384,12.813;-.261,6.517,13.47;-.49,7.166,11.373;-2.383,9.989,14.928;-1.698,8.706,14.519;-.868,8.607,15.05;-2.29,7.945,14.745;-2.781,10.812,14.088;-2.552,10.163,16.185;