HMDB0251050 RDKit 3D Desmedipham 38 39 0 0 0 0 0 0 0 0999 V2000 -4.8260 -2.6750 -1.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2117 -1.3709 -1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7508 -1.5608 -0.1299 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1465 -0.5285 0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 -0.3050 1.9154 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 0.2858 -0.1304 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 1.3761 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 2.4650 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8389 3.5188 1.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4774 3.4663 1.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 2.3724 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6561 2.4469 1.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 1.4187 1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 0.8101 2.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 1.0184 -0.0075 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -0.0373 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7844 -1.2762 -0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 -2.3225 -1.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 -2.0961 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4512 -0.8740 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6471 0.1731 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 1.3289 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2026 -3.1119 -2.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8488 -2.5323 -2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -3.4070 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0217 -0.6127 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -1.0682 -2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 -1.1093 2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 2.4537 0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 4.3866 1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 4.3059 2.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -0.1860 2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 -1.4429 -0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 -3.2989 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6107 -2.8890 -1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 -0.7163 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1153 1.1320 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 0.4621 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 2 3 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 3 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 11 22 2 0 22 7 1 0 21 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 5 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 14 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 M END