* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/45/01/2007src1051.mol"
Structure: 1
InChI=1/C22H28ClNO2S/c1-3-21(23)20-15-16-24(22(20)14-11-18-7-5-4-6-8-18)27(25,26)19-12-9-17(2)10-13-19/h4-10,12-13,20-22H,3,11,14-16H2,1-2H3/t20-,21-,22-/m1/s1
AuxInfo=1/0/N:9,28,38,47,34,36,51,32,7,13,19,22,17,41,53,44,25,24,5,15,26,49,2,6,3,4,1/E:(5,6)(7,8)(9,10)(12,13)(25,26)/it:im/CRV:27.6/rA:55nSClOOCNCHCHHHCHCHCHCHHCHCCCHCHHHCHCHCHCHHCHHCHHCHCHCHCHH/rB:;d1;d1;s1;s1;;s7;;s9;s9;s9;;s13;;s15;s5d13;s17;;s19;s19;d5s7;s22;s19;d7s13;s2s15;s26;s25;s28;s28;s28;s24;s32;;s34;d32;s36;s9s26;s38;s38;s19;s41;s41;s6;s44;s44;d34s36;s47;s6s15s41;s49;d24s34;s51;s15s44;s53;s53;/rC:11.8864,3.1287,9.0295;14.8326,-.5102,10.3308;11.5439,3.7014,10.3013;11.3906,3.724,7.8182;11.3426,1.4473,9.077;13.5012,3.1474,8.9088;10.8316,-.607,7.945;10.7797,-1.1127,7.1425;17.6923,-.3288,8.9404;17.5155,-.7485,9.8081;18.0399,.5768,9.0803;18.3532,-.86,8.449;10.5592,-.4433,10.3122;10.3211,-.837,11.1433;15.5131,1.9065,9.2264;16.3606,1.9788,9.7523;10.9864,.8608,10.284;11.0382,1.3617,11.0896;15.6755,3.2451,12.0892;15.287,2.4157,12.4652;16.5779,3.0251,11.7465;11.2678,.7052,7.8904;11.5131,1.0973,7.0606;15.8128,4.2679,13.203;10.4678,-1.2014,9.1469;15.2476,.442,8.8483;14.4559,.4208,8.2377;9.9401,-2.6137,9.1839;10.2393,-3.0952,8.3845;8.9606,-2.596,9.2072;10.2777,-3.0677,9.9841;16.2371,3.8477,14.4676;16.429,2.929,14.6148;15.6797,6.516,14.0705;15.4689,7.4324,13.9355;16.3815,4.7458,15.5046;16.6742,4.4397,16.355;16.4046,-.2583,8.1409;16.1236,-1.1802,7.9143;16.5871,.2153,7.2909;14.8045,3.7095,10.9183;14.0018,4.1628,11.2794;15.3119,4.3747,10.3889;14.1471,3.0476,7.5827;14.0529,3.8905,7.072;13.7686,2.3018,7.053;16.1043,6.086,15.3178;16.2032,6.7034,16.033;14.3547,2.5818,9.9884;13.8415,1.897,10.5057;15.5601,5.6255,13.0226;15.3016,5.9435,12.1655;15.5986,2.7835,7.9512;16.0761,3.6307,8.1363;16.0665,2.3034,7.2227;