* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/97/01/2008lsh093.mol"
Structure: 1
InChI=1/C8H12N.C2F3O2/c1-2-7-3-5-8(9)6-4-7;3-2(4,5)1(6)7/h3-6H,2H2,1,9H3;
AuxInfo=1/0/N:14,9,1,12,3,5,8,7,18;24,22,20,23,25,19,21/E:(3,4)(5,6);(3,4,5)(6,7)/CRV:9.4;6d/rA:28nCHCHCHCCCHHCHCHHHN4O.2FOCFCFHHH/rB:s1;d1;s3;;s5;s3d5;s1;s8;s9;s9;s5d8;s12;s9;s14;s14;s14;s7;;;;s20;s22;s19d21s22;s22;s18;s18;s18;/rC:3.4942,1.0161,6.0625;4.2617,1.2283,5.5445;2.2382,1.0813,5.4711;2.1465,1.3267,4.5579;1.2337,.428,7.5651;.4604,.2329,8.0813;1.1225,.7825,6.235;3.6559,.6467,7.3981;5.0429,.5286,8.0017;5.6687,1.0728,7.461;5.3352,-.415,7.9363;2.5048,.3626,8.1348;2.5897,.118,9.0488;5.1506,.9695,9.4573;4.8434,1.8963,9.5415;6.0839,.9069,9.7494;4.5936,.3887,10.0166;-.2001,.8593,5.6064;-.0677,2.8957,3.8212;-2.9455,4.1785,3.2667;-.628,3.3795,1.7077;-2.3778,2.9661,3.2231;-3.0329,2.2749,2.2877;-.8677,3.0797,2.8998;-2.6187,2.3751,4.3932;-.901,.7524,6.2153;-.3509,.215,4.9079;-.2712,1.695,5.135;