* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/18/01/ssf1327.mol" Structure: 1 InChI=1/C8H20N.C3H4O4/c1-7(2,3)6-8(4,5)9;1-7-3(6)2(4)5/h6H2,1-5,9H3;4H,1H3/q;-2/p-1 AuxInfo=1/1/N:11,20,24,28,32,16,15,19,36;3,2,1,10,9,8,7/E:(1,2,3)(4,5);/CRV:9.4;5-1.2,6-1.2/rA:39nCCCHHHOO2-O2-O-CHHHCCHHCCHHHCHHHCHHHCHHHN4HHH/rB:s1;;s3;s3;s3;s1s3;d1;d2;s2;;s11;s11;s11;s11;s15;s16;s16;s16;s15;s20;s20;s20;s15;s24;s24;s24;s19;s28;s28;s28;s19;s32;s32;s32;s19;s36;s36;s36;/rC:4.431,11.021,9.897;3.302,10.559,10.86;6.755,10.982,9.48;6.678,10.543,8.607;7.59,10.704,9.912;6.759,11.954,9.356;5.623,10.603,10.317;4.23,11.658,8.888;2.256,11.227,10.734;3.524,9.6,11.6;1.074,12.664,16.175;1.261,13.571,16.495;1.434,12.013,16.815;.107,12.539,16.091;1.743,12.455,14.797;1.628,10.991,14.318;2.308,10.881,13.609;1.926,10.43,15.079;.346,10.336,13.785;3.259,12.683,15.001;3.728,12.537,14.153;3.597,12.055,15.673;3.414,13.603,15.306;1.211,13.433,13.803;1.558,13.215,12.913;1.492,14.338,14.053;.232,13.387,13.792;-.896,10.553,14.653;-1.13,11.505,14.658;-.709,10.259,15.569;-1.644,10.034,14.29;.609,8.847,13.62;.859,8.463,14.486;1.339,8.714,12.981;-.202,8.408,13.29;.033,10.867,12.396;-.323,11.702,12.463;-.565,10.314,11.989;.798,10.9,11.904;