* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/64/01/06skc0060p-1.mol"
Structure: 1
InChI=1/C10H19N2O4.H2O/c1-11-3-5-12(6-4-11)8(10(14)15)7-9(13)16-2;/h8,11H,3-7H2,1-2H3,(H,14,15);1H2/t8-;/m1./s1
AuxInfo=1/1/N:24,8,12,21,15,18,4,2,7,1,28,30,34,31,32,33;35/E:(3,4)(5,6)(14,15);/it:im;/CRV:11.4;/rA:37nCCHCHHCCHHHCHHCHHCHHCHHCHHHN4HNOOOOOHH/rB:s1;s2;s2;s4;s4;s4;;s8;s8;s8;;s12;s12;s12;s15;s15;;s18;s18;s18;s21;s21;;s24;s24;s24;s12s21s24;s28;s2s15s18;d1;s1;s7s8;d7;;s35;s35;/rC:1.0856,1.3293,3.4557;.4681,.8177,2.13;-.197,1.4991,1.8253;1.5384,.7058,1.0501;2.2237,.0485,1.3289;1.128,.3853,.2073;2.1863,2.043,.8195;4.19,3.1769,.367;3.6913,3.771,-.2319;5.0782,3.0034,-.0102;4.2856,3.6031,1.2441;-2.2907,-1.5589,3.0856;-3.0813,-1.4364,3.67;-2.6143,-1.7254,2.1644;-1.4565,-.3013,3.1033;-1.991,.4545,2.7537;-1.1979,-.0892,4.0356;.5453,-1.5703,2.8267;.7921,-1.3754,3.765;1.3793,-1.6667,2.3023;-.2508,-2.8629,2.7648;-.4688,-3.0743,1.8222;.2933,-3.6053,3.1286;-2.3155,-3.9797,3.4985;-2.6043,-4.1426,2.576;-3.1028,-3.8861,4.0755;-1.7712,-4.7336,3.8079;-1.5099,-2.7311,3.5526;-1.276,-2.5815,4.4401;-.2512,-.4663,2.2871;2.2621,1.0484,3.72;.3151,1.9955,4.2078;3.4774,1.9313,.5121;1.6051,3.1035,.8797;4.2331,3.0728,3.9854;3.7071,2.4108,3.9018;5.0056,2.8062,4.004;