* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/09/01/2008src0405r.mol"
Structure: 1
InChI=1/C7H10O2.C7H8.C6H6N2O.CH4.2FH/c1-4-5(2)6(3)7(8)9;1-7-5-3-2-4-6-7;7-6(9)5-2-1-3-8-4-5;;;/h4,6H,1-2H2,3H3,(H,8,9);2-6H,1H3;1-4H,(H2,7,9);1H4;2*1H/t6-;;;;;/m0...../s1
AuxInfo=1/1/N:15,21,28,18,20,26,32,33,35;14,8,6,10,4,12,3;39,37,41,43,36,45,47,46,48;23;17;25/E:(8,9);(3,4)(5,6);;;;/it:im;;;;;/rA:48nHHCCHCHCHCHCHCCHFCHCCHCHFCHCHHHCOHOCCHCHCHCHCNNO/rB:;;s3;s4;d4;s6;s6;s8;d8;s10;d3s10;s12;s3;;s15;;d15;s18;s18;d20;s21;;s23;;s20;s26;s26;s28;s28;s28;s26;s32;s33;d32;;d36;s37;s37;s39;d39;s41;s36;s43;s36;s41d43;s1s2s45;d45;/rC:-2.7912,1.0155,6.382;-1.3993,.2598,6.3717;10.4643,4.2696,13.8138;10.5287,3.218,14.7327;9.9718,2.4572,14.6163;11.393,3.274,15.8073;11.4147,2.561,16.4346;12.2296,4.3662,15.9747;12.8249,4.4013,16.7141;12.1951,5.4031,15.0637;12.7795,6.1448,15.1679;11.3072,5.3647,13.9935;11.2751,6.0902,13.381;9.5044,4.2022,12.6795;8.5627,5.1946,12.4221;8.5686,5.9736,12.9658;8.4966,6.2877,13.2675;7.621,5.1044,11.4175;6.9981,5.8088,11.2827;7.5881,3.9739,10.6007;8.5444,2.9814,10.8053;8.5622,2.2139,10.2458;9.4623,3.1171,11.8201;10.1042,2.4269,11.9385;10.4216,2.1383,11.9169;6.5206,3.7968,9.5313;6.8182,3.0472,8.9402;6.3288,5.0144,8.6453;5.9344,5.7417,9.1705;5.7316,4.7869,7.9023;7.1966,5.3006,8.2911;5.2138,3.3544,10.1958;5.3848,2.2772,10.943;4.678,2.1154,11.367;4.1487,3.9192,10.0555;-2.1426,2.829,4.6443;-1.6182,3.5327,3.5678;-.7955,3.2652,3.1754;-2.3052,4.6278,3.0719;-1.968,5.1147,2.3291;-3.4867,4.9982,3.6755;-3.9549,5.7509,3.3338;-3.3411,3.2734,5.1827;-3.7105,2.794,5.915;-1.3678,1.6605,5.1695;-4.0052,4.3425,4.7251;-1.9049,.9082,6.1358;-.2399,1.4344,4.7116;