* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/07/01/97SRC237.mol"
Structure: 1
InChI=1/C19H10ClO2.C5H5.Fe/c20-13-6-8-15-17(10-13)19(22)14-7-5-12(9-16(14)18(15)21)11-3-1-2-4-11;1-2-4-5-3-1;/h1-10H;1-5H;
AuxInfo=1/0/N:17,19,15,21,25,40,27,42,31,37,23,24,39,29,34,30,35,33,36,2,3,4;5,7,13,9,11;1/E:(1,2)(3,4);(1,2,3,4,5);/CRV:4.3;1.3;/rA:43nFeClOOCHCHCHCHCHCHCHCHCHCCCHCHCCCHCCCCCHCCHCH/rB:;;;s1;s5;s5;s7;d7;s9;s9;s11;s5d11;s13;;s15;s15;s17;d17;s19;s1s19;s21;d15s21;s23;d24;s25;s25;s27;d27;s29;s24d30;s31;d3s30;s33;d34;d4s29s35;s35;s37;s2d37;s39;s40;s34d40;s42;/rC:1.4814,5.5959,13.4922;1.5484,1.6998,2.2009;2.0663,.982,8.8109;.3615,5.1587,5.8874;3.4287,6.0086,13.3627;4.0992,5.3727,13.2569;2.7262,6.6202,12.3073;2.8751,6.4912,11.3982;1.7314,7.4959,12.9113;1.0556,7.9846,12.4941;2.0276,7.417,14.2314;1.6198,7.9497,14.8758;2.9996,6.4684,14.5365;3.2836,6.2089,15.3833;1.2439,3.6061,13.1852;1.9448,3.0369,12.9611;.805,3.9217,14.5178;1.1178,3.5347,15.3024;-.158,4.8976,14.4244;-.5741,5.315,15.1405;-.4139,5.1632,13.0576;-1.0222,5.7855,12.7276;.426,4.3103,12.2699;.587,4.2587,10.8035;.1344,5.3575,10.0594;-.2142,6.1042,10.489;.2119,5.3135,8.702;-.0418,6.0632,8.21;.6622,4.1737,8.0139;1.1072,3.1204,8.7549;1.0389,3.1705,10.1154;1.3145,2.4268,10.598;1.679,1.9244,8.1042;1.6152,1.9199,6.6004;1.1292,2.9884,5.8532;.6873,4.2405,6.588;1.1497,2.87,4.502;.8323,3.5666,3.9758;1.6251,1.7575,3.9167;2.1195,.7422,4.7199;2.4886,.0015,4.2965;2.1089,.7452,6.068;2.4027,.0319,6.5848;