* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/63/01/2008lsh076.mol" Structure: 1 InChI=1/C8H8INO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11) AuxInfo=1/1/N:12,5,7,3,9,11,2,1,18,16,17/rA:19nCCCHCHCHCHCCHHHNOIH/rB:s1;d2;s3;s3;s5;d5;s7;d1s7;s9;;s11;s12;s12;s12;s1s11;d11;s2;s16;/rC:2.3842,.7302,2.0476;1.8252,.1928,3.2114;2.1519,-1.0915,3.6342;1.7369,-1.46,4.4052;3.0888,-1.8335,2.9229;3.3233,-2.7073,3.2126;3.6813,-1.294,1.7874;4.3354,-1.793,1.3123;3.3214,-.0301,1.3456;3.7166,.3222,.5568;2.8128,2.9378,1.0481;2.1453,4.1952,.5597;2.8228,4.8081,.2051;1.6736,4.6247,1.3036;1.5049,3.9715,-.1476;1.9803,2.0045,1.5731;4.0336,2.7918,.9836;.5424,1.3265,4.4161;1.1493,2.1579,1.6064;