* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/95/01/00sot063.mol"
Structure: 1
InChI=1/3C9H14Cl2O/c3*1-8(12)3-2-6-7(10)4-9(6,11)5-8/h3*6-7,12H,2-5H2,1H3/t3*6-,7+,8-,9+/m100/s1
AuxInfo=1/0/N:23,17,20,6,14,11,9,13,5,2,1,3;49,43,46,32,40,37,35,39,31,28,27,29;75,69,72,58,66,63,61,65,57,54,53,55/it:3im/rA:78nClClOHCCHHCHCHCCHHCHHCHHCHHHClClOHCCHHCHCHCCHHCHHCHHCHHHClClOHCCHHCHCHCCHHCHHCHHCHHH/rB:;;s3;s1;s5;s6;s6;s2s6;s9;s5s9;s11;s3;s5s13;s14;s14;s11;s17;s17;s13s17;s20;s20;s13;s23;s23;s23;;;;s29;s27;s31;s32;s32;s28s32;s35;s31s35;s37;s29;s31s39;s40;s40;s37;s43;s43;s39s43;s46;s46;s39;s49;s49;s49;;;;s55;s53;s57;s58;s58;s54s58;s61;s57s61;s63;s55;s57s65;s66;s66;s63;s69;s69;s65s69;s72;s72;s65;s75;s75;s75;/rC:1.5791,-.0738,1.0255;4.7156,.0743,-2.853;1.6503,4.6823,.5067;1.4776,4.8951,-.2557;2.1838,1.0011,-.2942;2.1445,.3882,-1.6933;2.144,-.601,-1.7035;1.4343,.7556,-2.2778;3.52,1.016,-1.9104;3.4297,1.9393,-2.2829;3.7163,1.0645,-.3944;4.0907,.1873,-.0938;2.284,3.3892,.6591;1.527,2.3892,-.2004;1.4413,2.7599,-1.1151;.614,2.2839,.1657;4.4842,2.1659,.2749;5.3722,2.2585,-.1516;4.6232,1.9408,1.2295;3.7161,3.4905,.1632;4.1907,4.1841,.6873;3.7087,3.7799,-.7837;2.2109,3.0839,2.157;1.2727,3.0238,2.432;2.6535,3.7996,2.6581;2.6604,2.2317,2.3382;.4851,4.0355,7.5945;3.98,1.2758,5.2495;.8801,.4112,10.7313;.091,.3782,10.6118;1.2605,2.404,7.5362;1.3345,1.7776,6.1307;.6903,1.0416,5.9778;1.3159,2.4348,5.3907;2.7391,1.3143,6.5264;2.6934,.4287,6.9902;2.8149,2.4397,7.5503;3.1289,3.2743,7.0981;1.3548,1.542,9.9656;.6707,1.4971,8.5961;.7024,.5652,8.2633;-.2828,1.737,8.7155;3.5281,2.2953,8.8723;3.5559,3.176,9.3245;4.4616,2.0079,8.7091;2.852,1.2902,9.7831;3.2909,1.3156,10.6696;2.9799,.3827,9.4093;1.0813,2.8243,10.739;.1167,2.9177,10.8854;1.4086,3.592,10.2251;1.541,2.7895,11.6036;4.1006,7.8534,4.6849;.3891,9.1019,7.8697;.3187,6.343,2.141;.7139,5.8077,1.6958;2.3501,7.603,5.0798;2.0863,7.2225,6.5379;2.7772,7.5351,7.1752;1.8652,6.268,6.6793;.8625,8.1506,6.4159;.0765,7.6407,6.0677;1.5429,8.8935,5.2892;2.1416,9.5975,5.672;1.1135,7.3392,2.8238;1.7158,6.6663,4.0559;1.004,6.1468,4.5081;2.4058,6.0221,3.7539;.7705,9.4726,4.1381;1.3807,10.0183,3.5818;.0655,10.0704,4.4914;.1187,8.3938,3.258;-.6145,7.9616,3.7629;-.2735,8.8214,2.4564;2.1497,7.8861,1.8757;2.781,7.1765,1.6367;2.6328,8.6204,2.3086;1.7087,8.217,1.065;