* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/55/01/04skc0004p-1.mol" Structure: 1 InChI=1/C4H10NO.C4H6O6.H2O/c1-3-6-4-2-5-1;5-1(3(7)8)2(6)4(9)10;/h1-5H2;1-2,5-6H,(H,7,8)(H,9,10);1H2/t;1-,2-;/m.1./s1 AuxInfo=1/1/N:16,25,19,22,28,31;2,4,1,6,10,12,7,8,14,15;32/E:(1,2)(3,4);(1,2)(3,4)(5,6)(7,8,9,10);/gE:;(1,2);/it:;im;/CRV:5.4;;/rA:34nCCHCHCOOHOHOHOOCHHCHHCHHCHHN4HHOOHH/rB:s1;s2;s2;s4;s4;d1;s1;s8;s2;s10;s4;s12;d6;s6;;s16;s16;s16;s19;s19;;s22;s22;s22;s25;s25;s16s25;s28;s28;s19s22;;s32;s32;/rC:-5.2074,-.017,5.9838;-3.7446,-.1856,5.5918;-3.6933,-.4689,4.6338;-2.9758,1.1249,5.7667;-3.4054,1.8099,5.1777;-1.5372,.9187,5.2703;-5.7359,-.6938,6.8341;-5.8171,.9014,5.2697;-6.6219,.9512,5.506;-3.1857,-1.1999,6.405;-2.6388,-1.6504,5.9548;-3.057,1.592,7.0988;-2.6388,1.0677,7.6051;-1.4243,.4746,4.0967;-.6014,1.1956,6.0436;-1.9689,-.3892,11.3922;-1.9082,-.0498,12.3199;-2.8868,-.7309,11.2464;-1.6813,.7255,10.4224;-2.3575,1.4402,10.5285;-.7908,1.1125,10.6169;-.69,-.7486,8.882;.1967,-.3543,9.0776;-.6945,-1.043,7.9363;-.9238,-1.932,9.7786;-1.7744,-2.374,9.5321;-.1907,-2.5874,9.6638;-.982,-1.4913,11.1923;-.1487,-1.2033,11.4543;-1.2145,-2.2062,11.7234;-1.7079,.2373,9.0823;.2175,-3.7787,7.2855;-.2756,-3.3852,6.6944;-.0367,-4.5828,7.273;