* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/11/86/01/93SRC031.mol"
Structure: 1
InChI=1/3C6H5.C2H6N.CH2Cl2.3CH3O.2HI.Sb.W/c3*1-2-4-6-5-3-1;1-2-3;2-1-3;3*1-2;;;;/h3*1-5H;3H,2H2,1H3;1H2;3*2H,1H2;2*1H;;/q;;;-1;;;;;;;;+2/p-1
AuxInfo=1/1/N:19,27,42,10,14,7;34,21,44,29,8,18;32,36,40,38,16,13;23,12,5;52,50,51;31,6;47,46;48,49;3;4;2;1/E:3*(2,3)(4,5);;(2,3);;;;;;;/CRV:3*6.3;3-1;;3*1.3;;;;/rA:54nWSbIINOCCHCHCCCHCHCCHCHCHHHCHCHCCHCHCHCHCHCHCHOCCOClClCHH/rB:;s1;;s1;;s2;;s8;d7;s10;s5;s2;s7;s14;s13;s16;s2d8;;s19;;s21;s12;s23;s23;s23;s10d19;s27;s18d21;s29;s1s6;;s32;s21;s34;d32;s36;d13s36;s38;d16s32;s40;d14s19;s42;s8d34;s44;;s1s46;s1;s48;;;s50s51;s52;s52;/rC:1.8832,1.2515,4.2542;.7711,3.4778,3.0279;2.817,1.0653,1.5546;2.7368,-1.4663,4.5435;-.0308,.5088,3.5073;2.2263,3.648,6.2289;2.1538,4.8938,2.2882;-1.1429,4.183,5.3295;-1.0945,3.2704,5.5018;1.9969,5.4812,1.0103;1.2813,5.2268,.4738;-.9658,.139,2.9878;-.6456,3.2258,1.445;3.2377,5.295,3.0596;3.3668,4.92,3.9002;-1.9481,3.5956,1.6434;-2.1994,3.9601,2.4605;-.4006,4.7574,4.2996;3.9419,6.8319,1.3614;4.5204,7.5033,1.0743;-1.2972,6.921,4.8335;-1.3474,7.8337,4.669;-2.1763,-.3095,2.2895;-2.4361,.3514,1.6434;-2.8846,-.4301,2.9252;-1.9991,-1.1408,1.8431;2.8983,6.4306,.5495;2.8009,6.7925,-.3002;-.4994,6.1159,4.0582;-.0168,6.4909,3.3572;2.0668,2.7747,5.4848;-2.5507,2.8901,-.5456;-3.192,2.759,-1.2061;-2.0131,6.3624,5.8477;-2.5473,6.9053,6.3829;-1.2238,2.5256,-.7871;-.9825,2.1715,-1.6133;-.2552,2.6908,.2102;.6302,2.4495,.0574;-2.9095,3.4356,.6357;-3.7881,3.7031,.7806;4.1289,6.247,2.591;4.8588,6.4909,3.1131;-1.9601,5.0144,6.0944;-2.4749,4.6499,6.7784;4.9741,1.7099,4.5986;3.8312,1.5132,4.5176;1.1259,.695,6.0174;.6646,.4249,7.029;-.807,-3.1476,4.0934;-2.7387,-4.107,2.1276;-2.4053,-3.8395,3.8402;-3.0746,-3.2442,4.2083;-2.466,-4.684,4.314;