* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/14/00/01/2008lsh175.mol"
Structure: 1
InChI=1/C9H8F3NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h2-5,13H,1H3/q-1
AuxInfo=1/0/N:12,2,9,4,7,11,1,6,19,21,22,23,16,18,20/E:(2,3)(4,5)(10,11,12)/CRV:14-1.2/rA:23nCCHCHCCHCHCCHHHNHO2-COFFF/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s1s11;s16;d11;;s6s19;s19;s19;s19;/rC:-1.015,1.976,5.735;-.582,2.532,4.544;-.871,2.159,3.719;.265,3.623,4.542;.563,3.997,3.722;.669,4.156,5.728;.265,3.633,6.93;.559,4.017,7.748;-.58,2.533,6.93;-.864,2.157,7.755;-2.38,.117,4.746;-3.291,-1.009,5.202;-4.213,-.811,4.936;-3.244,-1.093,6.177;-3.005,-1.849,4.787;-1.889,.877,5.742;-2.165,.641,6.543;-2.087,.29,3.584;.992,6.472,5.726;1.566,5.264,5.737;.223,6.675,6.805;1.942,7.382,5.733;.223,6.674,4.671;