* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/18/01/2007src1050.mol"
Structure: 1
InChI=1/C20H29NO2S/c1-3-7-17-14-15-21(20(17)18-8-5-4-6-9-18)24(22,23)19-12-10-16(2)11-13-19/h3,7,10-13,17-18,20H,4-6,8-9,14-15H2,1-2H3/b7-3+/t17-,20-/m0/s1
AuxInfo=1/0/N:19,50,17,31,28,34,15,25,37,43,46,41,48,9,12,45,7,23,40,5,4,2,3,1/E:(5,6)(8,9)(10,11)(12,13)(22,23)/it:im/CRV:24.6/rA:53nSOONCHCHCHHCHHCHCHCHHHCHCHHCHHCHHCHHCHHCCHCHCCHCHCHHH/rB:d1;d1;s1;s4;s5;s5;s7;s7;s9;s9;s4s9;s12;s12;s7;s15;d15;s17;s17;s19;s19;s19;s5;s23;s23;s25;s25;s25;s28;s28;s28;s31;s31;s31;s34;s34;s23s34;s37;s37;s1;s40;s41;d41;s43;s43;d45;s46;d40s46;s48;s45;s50;s50;s50;/rC:2.1438,6.5386,4.2769;1.4952,6.9979,5.4678;1.7087,6.9959,2.9843;3.7109,6.942,4.4025;4.4096,6.8509,5.7239;3.9006,6.2454,6.3023;5.7565,6.1678,5.3627;6.475,6.5186,5.9294;5.9952,6.5656,3.902;6.4035,7.4436,3.8453;6.57,5.9224,3.4583;4.6028,6.5723,3.2771;4.5465,7.2238,2.5606;4.3751,5.697,2.9264;5.6551,4.6832,5.5199;4.9984,4.2481,5.0256;6.4105,3.9424,6.2932;7.0748,4.3694,6.7843;6.2818,2.4618,6.4428;5.4981,2.1601,5.9775;6.2067,2.2395,7.3737;7.0578,2.0341,6.0733;4.4743,8.2237,6.3981;3.5491,8.5287,6.5045;5.2038,9.305,5.6008;6.1319,9.0478,5.4852;4.8024,9.3813,4.7211;5.1382,10.6509,6.3022;4.2144,10.9412,6.3581;5.6291,11.3087,5.7853;5.7293,10.5639,7.706;6.6778,10.37,7.646;5.6248,11.4178,8.1542;5.0386,9.4757,8.5187;5.4769,9.3934,9.3801;4.1163,9.7313,8.6763;5.0716,8.1288,7.8082;4.5703,7.4799,8.3264;5.9891,7.8196,7.7482;2.0463,4.7761,4.2555;2.0796,4.074,5.4561;2.1205,4.5308,6.2652;2.0514,2.6913,5.4369;2.0749,2.2251,6.2412;1.9884,1.9785,4.236;1.9602,2.7042,3.0525;1.9181,2.2479,2.2433;1.9929,4.0825,3.044;1.9795,4.5467,2.2382;1.9005,.4821,4.2225;1.0221,.1849,3.9494;2.043,.1858,5.1817;2.5976,.0954,3.6835;