* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/86/01/2008lsh115.mol"
Structure: 1
InChI=1/C13H10F2N2O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8,16-17H/q-1
AuxInfo=1/0/N:8,21,6,19,10,23,3,16,5,18,2,15,1,26,25,13,12,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/CRV:18-1.2/rA:28nCCCHCCHCHCHNNO2-CCHCCHCHCHFFHH/rB:;d2;s3;s3;d5;s6;s6;s8;s2d8;s10;s1;s1s2;d1;s12;d15;s16;s16;d18;s19;s19;s21;s15d21;s23;s18;s5;s13;s12;/rC:1.922,12.44,1.95;.94,14.674,1.597;1.074,15.93,2.171;1.404,16.029,3.056;.715,17.03,1.425;.238,16.947,.137;-.002,17.726,-.35;.121,15.693,-.418;-.199,15.605,-1.308;.462,14.554,.297;.37,13.696,-.1;2.058,11.47,2.898;1.241,13.536,2.388;2.362,12.34,.802;2.611,10.167,2.739;3.517,9.819,1.738;3.871,10.469,1.142;3.881,8.472,1.651;3.448,7.501,2.51;3.743,6.601,2.429;2.553,7.887,3.511;2.216,7.237,4.116;2.156,9.196,3.629;1.562,9.443,4.328;4.766,8.162,.657;.83,18.252,2.001;1.088,13.607,3.238;1.69,11.655,3.669;