* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/66/01/06skc0059p21.mol" Structure: 1 InChI=1/C5H14N2.C2H2O4.2H2O/c1-7-4-2-6-3-5-7;3-1(4)2(5)6;;/h7H,2-6H2,1H3;(H,3,4)(H,5,6);2*1H2 AuxInfo=1/1/N:19,10,13,7,16,25,23;1,2,3,4,5,6;28;31/E:(2,3)(4,5);(1,2)(3,4,5,6);;/gE:;(1,2);;/CRV:6.4,7.4;;;/rA:33nCCOOOOCHHCHHCHHCHHCHHHN4HN4HHOHHOHH/rB:s1;s1;d1;s2;d2;;s7;s7;s7;s10;s10;;s13;s13;s13;s16;s16;;s19;s19;s19;s7s16s19;s23;s10s13;s25;s25;;s28;s28;;s31;s31;/rC:-.608,1.434,8.5405;-.6634,.3625,7.4174;.4872,1.5144,9.1777;-1.6193,2.1047,8.7532;.2776,-.4366,7.3296;-1.6788,.4267,6.6574;3.474,.9261,6.5081;3.8864,.6574,5.6485;2.5636,1.2661,6.3207;3.3895,-.2694,7.4253;2.8293,-.9713,7.0076;4.2949,-.6433,7.5706;3.5627,1.2365,9.3582;4.4731,.9198,9.5875;3.1138,1.5108,10.1963;3.6617,2.4109,8.439;4.208,3.1197,8.8625;2.7581,2.7783,8.2702;4.4957,3.1719,6.2349;3.6361,3.6135,6.071;4.8731,2.8658,5.384;5.1132,3.8053,6.6564;4.2896,1.9996,7.1394;5.1256,1.642,7.3316;2.7992,.1298,8.7288;1.9284,.3964,8.599;2.7933,-.596,9.2947;-2.444,-1.3246,4.7615;-1.8559,-1.8057,4.3908;-2.0144,-.8676,5.3372;1.2458,-2.9427,6.5881;.7655,-2.2641,6.6837;.7119,-3.562,6.3129;