* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/66/01/2008lsh166.mol" Structure: 1 InChI=1/C9H8F3NO/c1-6(14)13-8-5-3-2-4-7(8)9(10,11)12/h2-5H,1H3,(H,13,14) AuxInfo=1/1/N:12,5,7,3,9,11,2,1,16,19,20,21,17,18/E:(10,11,12)/rA:22nCCCHCHCHCHCCHHHCNOFFFH/rB:s1;d2;s3;s3;s5;d5;s7;d1s7;s9;;s11;s12;s12;s12;s2;s1s11;d11;s16;s16;s16;s17;/rC:2.6597,11.2139,.5781;2.3484,9.9059,.1967;2.7985,9.4127,-1.0236;2.5853,8.5242,-1.2836;3.5566,10.2144,-1.86;3.8497,9.8791,-2.6991;3.8876,11.4975,-1.4794;4.4241,12.0379,-2.0474;3.4374,11.9991,-.2678;3.6618,12.8863,-.0128;3.0263,12.356,2.7106;2.3706,13.0206,3.8799;2.6559,12.5807,4.7078;1.3971,12.9509,3.7916;2.6295,13.9654,3.906;1.5905,9.0032,1.118;2.1984,11.7601,1.8141;4.2498,12.3604,2.5766;2.2702,8.7568,2.2598;1.3243,7.8064,.5794;.4134,9.5123,1.511;1.3538,11.7947,1.986;