* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/88/01/2008lsh007.mol"
Structure: 1
InChI=1/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
AuxInfo=1/1/N:12,4,7,2,9,11,6,1,18,16,17/E:(2,3)(4,5)/rA:19nCCHCHCCHCHCCHHHNOIH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s1s11;d11;s6;s16;/rC:11.6222,4.0139,4.0358;11.7878,4.2594,2.6723;12.4871,3.8322,2.1916;10.9243,5.132,2.0211;11.0278,5.2917,1.0904;9.9183,5.7674,2.7178;9.7585,5.5545,4.0836;9.0753,6.0068,4.5643;10.6069,4.6762,4.732;10.4985,4.5208,5.6629;13.2815,2.1831,4.3371;13.9851,1.4001,5.4122;13.7151,.4595,5.361;13.744,1.7618,6.2905;14.9544,1.4692,5.2853;12.4461,3.1461,4.7878;13.4449,1.9229,3.1492;8.5846,7.043,1.7079;12.3629,3.2169,5.6555;