* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/96/01/96SRC245.mol" Structure: 1 InChI=1/C18H19NO2/c1-14(2)13-19(17(20)15-9-5-3-6-10-15)18(21)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3 AuxInfo=1/0/N:22,37,30,32,20,28,18,35,26,12,14,16,4,8,7,10,11,34,3,1,2/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(15,16)(17,18)(20,21)/rA:40nOONCHHCCHCCCHCHCHCHCHCHHHCHCHCHCHCCHCHHH/rB:;;s3;s4;s4;;s4;s8;;d1s3s7;s7;s12;d10;s14;s10;s16;s14;s18;;s20;s8;s22;s22;s22;d7s20;s26;d12;s28;d20s28;s30;d18;s32;d2s3s10;d16s32;s35;s8;s37;s37;s37;/rC:10.3853,4.468,8.6615;8.0578,.89,7.0813;9.291,2.625,7.8945;10.5274,1.8282,8.0434;11.2906,2.366,7.7143;10.4569,1.0262,7.4673;8.0217,4.5611,8.8124;10.8281,1.3795,9.4622;10.8753,2.1918,10.0436;7.4061,3.0343,6.3273;9.3127,3.9256,8.4255;6.9464,3.8295,9.3178;7.0046,2.8832,9.378;7.9903,4.0862,5.622;8.9209,4.2584,5.7047;6.0501,2.7898,6.1779;5.6486,2.0589,6.6331;7.2074,4.8765,4.802;7.6053,5.5885,4.315;6.7643,6.5932,9.1446;6.699,7.539,9.0838;12.1887,.7048,9.4777;12.4028,.422,10.3913;12.8696,1.3354,9.1629;12.1716,-.0784,8.8889;7.9244,5.9557,8.7416;8.6567,6.4659,8.416;5.796,4.4764,9.7317;5.0702,3.9738,10.0824;5.6988,5.8594,9.636;4.9023,6.3003,9.9074;5.8622,4.6422,4.6853;5.3299,5.1991,4.1294;8.2323,2.0973,7.1474;5.2819,3.6009,5.3728;4.3489,3.4413,5.2918;9.7473,.4638,10.0123;8.875,.9032,9.9322;9.9309,.2716,10.9555;9.739,-.3739,9.5038;