* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/23/01/2007src1354.mol"
Structure: 1
InChI=1/C22H25N2O.ClHO2.4H2O/c1-22(2)23(3)21(25)20(17-19-13-8-5-9-14-19)24(22)16-10-15-18-11-6-4-7-12-18;1-3-2;;;;/h4-16,20H,17H2,1-3H3;2H;4*1H2/t20-;;;;;/m0...../s1
AuxInfo=1/0/N:26,30,34,13,49,11,15,47,51,21,9,17,45,53,19,23,41,8,44,39,38,25,56,55,57;7,6,4;1;2;3;5/E:(1,2)(6,7)(8,9)(11,12)(13,14);;;;;/it:im;;;;;/CRV:15d;;;;;/rA:57nOOOOOOClCCHCHCHCHCHC.2HCHCHCCHHHCHHHCHHHCCHCHHCCHCHCHCHCHNNO/rB:;;;;s4;s4;;s8;s9;d9;s11;s11;s13;d13;s15;d8s15;s17;s8;s19;s19;s21;d21;s23;;s25;s26;s26;s26;s25;s30;s30;s30;;s34;s34;s34;;s38;s39;s39;s41;s41;s41;d44;s45;s45;s47;d47;s49;s49;s51;s44d51;s53;s23s25s39;s25s34s38;d38;/rC:6.03,.5527,.5487;4.762,-.8898,1.8848;6.8974,-.4847,2.2393;5.5279,1.3196,2.5537;4.2854,1.0936,1.9367;6.1316,.4795,3.1405;5.6209,.1972,1.8323;1.1214,2.7687,4.4952;.5206,2.6089,5.7534;.8352,3.1148,6.4928;-.5294,1.7176,5.9262;-.9231,1.6031,6.7836;-1.0032,.9931,4.8398;-1.7231,.3841,4.9545;-.4269,1.1552,3.5826;-.759,.6598,2.8429;.6267,2.0349,3.4044;1.0159,2.1427,2.5436;2.3088,3.6027,4.3993;2.5837,4.045,5.1932;3.0639,3.8134,3.2933;2.7644,3.5551,2.4293;4.3249,4.4396,3.4876;4.5032,4.795,4.3509;6.658,4.9782,2.9602;6.7372,6.4632,3.2713;7.6535,6.6934,3.5322;6.1247,6.6764,4.0063;6.4852,6.9769,2.4764;7.1484,4.1331,4.133;6.9287,3.1919,3.971;6.7108,4.4331,4.9578;8.1194,4.2319,4.2231;8.7778,4.8866,1.5546;9.0513,4.6343,.6473;9.2887,4.3638,2.2074;8.9507,5.8415,1.6946;6.5858,4.1315,.7404;5.1376,4.1587,1.1731;4.7445,3.2415,1.1129;4.3157,5.1436,.3127;4.3166,4.8224,-.6237;3.3779,5.1347,.6304;4.8166,6.5634,.3334;5.988,6.9372,-.3361;6.4481,6.2975,-.8675;6.4871,8.2351,-.234;7.292,8.4703,-.6809;5.8082,9.1839,.5212;6.1501,10.0669,.6002;4.6351,8.834,1.1558;4.1574,9.4842,1.6577;4.1457,7.5376,1.0655;3.3388,7.3114,1.5114;5.2536,4.57,2.5936;7.3556,4.6206,1.7246;6.969,3.7747,-.3739;