* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/84/01/2008lsh001.mol" Structure: 1 InChI=1/C9H8F3NO/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12/h2-5,13H,1H3/q-1 AuxInfo=1/0/N:13,4,7,2,9,12,6,1,11,20,21,22,17,19/E:(2,3)(4,5)(10,11,12)/CRV:14-1.2/rA:22nCCHCHCCHCHCCCHHHNHO2-FFF/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;s6;;s12;s13;s13;s13;s1s12;s17;d12;s11;s11;s11;/rC:7.256,3.366,13.009;8.461,2.971,12.436;9.283,3.288,12.791;8.46,2.112,11.34;9.283,1.848,10.946;7.263,1.64,10.819;6.065,1.996,11.421;5.247,1.648,11.088;6.059,2.854,12.505;5.233,3.098,12.91;7.267,.842,9.56;8.146,4.816,14.826;7.682,5.765,15.907;8.074,5.499,16.766;6.705,5.733,15.971;7.966,6.676,15.685;7.141,4.273,14.072;6.323,4.523,14.282;9.334,4.559,14.648;7.365,1.626,8.471;6.168,.12,9.381;8.295,-.004,9.475;