* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/88/01/2007src1053.mol"
Structure: 1
InChI=1/C20H30ClNO2S/c1-3-19(21)18-13-14-22(20(18)16-7-5-4-6-8-16)25(23,24)17-11-9-15(2)10-12-17/h9-12,16,18-20H,3-8,13-14H2,1-2H3/t18-,19-,20-/m1/s1
AuxInfo=1/0/N:36,40,26,47,50,53,15,44,6,9,11,24,19,31,18,22,8,13,29,34,2,5,3,4,1/E:(5,6)(7,8)(9,10)(11,12)(23,24)/it:im/CRV:25.6/rA:55nSClOONCHCCHCHCHCHHCCHHCHCHCHHCHCHHCHCHHHCHHHCHHCHHCHHCHH/rB:;d1;d1;s1;;s6;s1;;s9;s6d8;s11;;s13;;s15;s15;d6s9;s13;s19;s19;s15;s22;s8d9;s24;;s26;s26;s2s13s26;s29;s5s19;s31;s31;s5s13s22;s34;s26;s36;s36;s36;s18;s40;s40;s40;s22;s44;s44;;s47;s47;s15s47;s50;s50;s44s47;s53;s53;/rC:3.6543,12.8771,1.8373;.8159,15.5196,3.7344;3.809,12.5667,.4424;4.5714,12.3199,2.7916;3.7531,14.4848,2.0133;.3823,11.8045,3.9353;.124,11.7537,4.8479;2.0291,12.3429,2.2732;-.1448,11.564,1.6105;-.7571,11.3298,.923;1.6611,12.2331,3.6125;2.2805,12.4494,4.2995;2.7536,16.6633,2.1178;2.9815,17.4544,1.5497;2.5226,16.4903,-1.06;1.6448,16.0366,-1.1045;2.3849,17.3845,-.6573;-.5309,11.446,2.9426;3.8697,16.5245,3.1627;4.702,16.9543,2.8415;3.6015,16.9497,4.0167;3.4758,15.6728,-.1789;3.6002,14.785,-.6229;1.1211,12.0194,1.2721;1.3667,12.1094,.3592;.2869,17.2405,1.6831;.6122,17.9684,1.0949;.1397,16.4419,1.1179;1.364,16.9219,2.7098;1.4424,17.7153,3.3135;4.0807,15.0283,3.3542;5.0166,14.8269,3.6039;3.4736,14.6654,4.0472;2.8786,15.4041,1.2157;1.9763,14.9868,1.1102;-1.0405,17.66,2.2881;-1.3406,16.9761,2.9217;-1.7061,17.7603,1.5765;-.9307,18.5134,2.7555;-1.8898,10.9029,3.3072;-1.8145,9.9477,3.516;-2.5037,11.0254,2.5529;-2.2335,11.3826,4.0893;4.8432,16.3523,-.1361;5.4643,15.8068,.4089;4.7568,17.2385,.2943;4.4609,17.303,-2.4413;4.3769,18.2308,-2.1077;4.8286,17.341,-3.3593;3.0866,16.6508,-2.474;3.1538,15.7617,-2.9045;2.4698,17.2075,-3.0135;5.4178,16.5253,-1.5428;6.2815,17.0071,-1.4886;5.5896,15.6344,-1.9395;