* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/56/01/07skc0010cc.mol"
Structure: 1
InChI=1/C6H14N.C6H10O4/c1-2-4-6-7-5-3-1;7-5(8)3-1-2-4-6(9)10/h1-7H2;1-4H2,(H,7,8)(H,9,10)
AuxInfo=1/1/N:26,29,23,32,20,35,38;5,8,2,11,1,14,15,17,18,19/E:(1,2)(3,4)(5,6);(1,2)(3,4)(5,6)(7,8,9,10)/gE:;(1,2)/CRV:7.4;/rA:40nCCHHCHHCHHCHHCOHOOOCHHCHHCHHCHHCHHCHHN4HH/rB:s1;s2;s2;s2;s5;s5;s5;s8;s8;s8;s11;s11;s11;s1;s15;d1;d14;s14;;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;s32;s32;s32;s35;s35;s20s35;s38;s38;/rC:1.6464,9.4481,.4474;1.998,9.3684,1.9032;1.285,9.8119,2.4275;2.838,9.8695,2.0553;2.1748,7.9449,2.4258;2.8581,7.4781,1.8796;1.322,7.4527,2.3323;2.6065,7.9349,3.8904;3.4445,8.4548,3.983;1.9116,8.3807,4.4348;2.8324,6.5358,4.426;2.015,6.0004,4.267;3.5692,6.1155,3.9157;3.1692,6.4783,5.8985;1.5536,10.7,.0227;1.3142,10.7057,-.7821;1.472,8.4899,-.2683;3.6165,5.3644,6.331;2.9791,7.4664,6.6185;-1.3414,14.2418,.72;-1.3522,14.6101,1.6393;-2.1813,13.7352,.5881;-1.2931,15.3854,-.2691;-2.1858,15.8113,-.2962;-1.1158,15.0105,-1.1692;-.2543,16.4672,.0114;-.2688,17.1164,-.7358;-.5213,16.9516,.8328;1.1733,15.9694,.1896;1.7838,16.7492,.2228;1.4245,15.4241,-.5986;1.3726,15.1321,1.4515;2.3067,15.2461,1.7573;.7819,15.4916,2.1601;1.0941,13.65,1.3046;1.8524,13.2374,.8188;1.065,13.2463,2.2073;-.1794,13.3016,.5855;.0151,13.222,-.3102;-.4507,12.4732,.8791;