* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/42/01/99SRC289.mol" Structure: 1 InChI=1/C10H13NO2/c1-9(12)11(2)13-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3 AuxInfo=1/0/N:22,16,9,7,11,5,13,20,15,4,3,2,1/E:(4,5)(6,7)/rA:25nOONCCHCHCHCHCHCCHHHCHCHHH/rB:;s1;;s4;s5;d5;s7;s7;s9;d9;s11;d4s11;s13;d2s3;s3;s16;s16;s16;s1s4;s20;s15;s22;s22;s22;/rC:2.5994,3.1872,13.3031;1.3337,2.8958,10.0816;1.7611,3.4026,12.2183;3.2951,3.595,15.5426;3.098,4.342,16.6803;2.4045,4.9611,16.7052;3.9108,4.1897,17.7863;3.7597,4.7023,18.5475;4.9389,3.2854,17.7641;5.4925,3.1865,18.5048;5.145,2.5267,16.64;5.8352,1.9036,16.6227;4.3316,2.6834,15.5321;4.4847,2.1694,14.7723;2.0318,2.7257,11.0703;.7233,4.3971,12.2843;.276,4.4496,11.4365;1.1103,5.2499,12.4953;.0912,4.1553,12.9652;2.4193,3.8311,14.4183;1.7248,4.4452,14.4923;3.2071,1.7975,11.0621;3.2098,1.2774,11.869;4.018,2.3084,11.0079;3.1468,1.2116,10.304;