* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/83/01/04skc0005p1.mol" Structure: 1 InChI=1/C5H14N2.C4H6O6.H2O/c1-7-4-2-6-3-5-7;5-1(3(7)8)2(6)4(9)10;/h7H,2-6H2,1H3;1-2,5-7,9H;1H2/q;-2;/p-1/t;1-,2-;/m.0./s1 AuxInfo=1/1/N:13,4,7,1,10,19,17;23,25,22,27,30,32,29,28,35,34;37/E:(2,3)(4,5);(1,2)(3,4)(5,6)(7,9)(8,10);/it:;im;/CRV:6.4,7.4;8-1.2,10-1.2;/rA:39nCHHCHHCHHCHHCHHHN4HN4HHCCHCHCO2-O-OHOHO2-OHOHH/rB:s1;s1;s1;s4;s4;;s7;s7;s7;s10;s10;;s13;s13;s13;s1s10s13;s17;s4s7;s19;s19;;s22;s23;s23;s25;s25;d22;s22;s23;s30;s25;s32;d27;s27;s35;;s37;s37;/rC:4.791,-1.803,5.323;4.941,-2.731,5.011;4.851,-1.203,4.538;3.415,-1.694,5.939;3.236,-.752,6.186;2.732,-1.973,5.278;4.367,-2.185,8.148;4.307,-2.782,8.935;4.221,-1.255,8.452;5.725,-2.305,7.529;6.412,-2.044,8.192;5.888,-3.247,7.272;7.202,-1.524,5.733;7.383,-2.45,5.471;7.864,-1.236,6.396;7.258,-.944,4.945;5.846,-1.432,6.318;5.701,-.551,6.58;3.32,-2.558,7.154;2.488,-2.464,7.536;3.425,-3.44,6.913;5.424,1.264,11.228;5.655,-.158,11.733;6.263,-.642,11.103;4.293,-.866,11.776;3.914,-.855,10.85;4.451,-2.321,12.195;5.015,1.354,10.048;5.657,2.23,11.995;6.223,-.155,13.032;6.893,-.662,13.047;3.394,-.172,12.617;3.72,-.119,13.39;3.982,-2.781,13.21;5.166,-3,11.316;5.207,-3.805,11.552;5.79,1.092,7.464;5.322,1.661,7.033;5.486,1.088,8.248;