* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/11/01/07skc0020p21c.mol"
Structure: 1
InChI=1/C6H18N2.C4H4O4/c1-7(2)5-6-8(3)4;5-3(6)1-2-4(7)8/h7-8H,5-6H2,1-4H3;1-2,5,7H/q;-2/p-1/b;2-1-
AuxInfo=1/1/N:12,19,25,32,16,29,23,36;2,4,1,6,8,7,9,11/E:(1,2,3,4)(5,6)(7,8);(1,2)(3,4)(5,7)(6,8)/CRV:7.4,8.4;6-1.2,8-1.2/rA:37nCCHCHCO2-O-OHO2-CHHHCHHCHHHN4HCHHHCHHCHHHN4H/rB:s1;s2;d2;s4;s4;d1;s1;s6;s9;d6;;s12;s12;s12;;s16;s16;;s19;s19;s19;s12s16s19;s23;;s25;s25;s25;s16;s29;s29;;s32;s32;s32;s25s29s32;s36;/rC:1.399,6.224,7.064;.31,6.187,6.048;-.545,6.45,6.37;.342,5.845,4.758;-.494,5.918,4.311;1.463,5.37,3.899;1.054,6.4,8.252;2.617,6.076,6.712;2.694,5.422,4.353;2.686,5.673,5.154;1.216,4.939,2.786;-3.659,5.146,11.146;-4.102,4.345,10.796;-4.336,5.789,11.445;-3.086,4.899,11.901;-2.174,7.015,10.588;-1.429,6.775,11.195;-2.833,7.546,11.101;-1.842,4.78,9.538;-1.312,5.196,8.826;-2.32,4.003,9.178;-1.247,4.491,10.262;-2.824,5.765,10.068;-3.39,6.007,9.37;-.157,9.709,8.859;.286,10.51,9.209;.52,9.066,8.56;-.73,9.956,8.104;-1.642,7.84,9.417;-2.386,8.08,8.81;-.983,7.309,8.904;-1.974,10.075,10.467;-2.504,9.659,11.179;-1.496,10.852,10.827;-2.569,10.364,9.743;-.992,9.09,9.938;-.426,8.848,10.635;