HMDB0014488 RDKit 3D Protriptyline 41 43 0 0 0 0 0 0 0 0999 V2000 4.4262 0.6529 0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1348 0.5059 1.2284 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -0.8049 0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 -0.9269 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 0.0879 -0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1048 0.0368 -0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 -1.1816 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -2.0503 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 -3.2360 -1.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 -3.5358 -0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 -2.6676 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0187 -1.4962 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6455 -0.6892 1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 0.6406 1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0278 1.5696 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6609 2.7723 0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1928 3.7216 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 3.4256 -1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 2.1961 -1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9031 1.2874 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9711 -0.3219 0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 1.1050 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0075 1.3836 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 0.8091 2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6867 -1.0121 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 -1.6113 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.9724 -0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 -0.6547 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 1.0725 -0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 0.1808 -2.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -0.0189 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 -1.8051 -2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8673 -3.8585 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 -4.4502 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 -2.8734 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1486 -1.2330 2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1321 1.1411 2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5283 2.9242 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7048 4.6876 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7455 4.1699 -1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 2.0293 -1.8520 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 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 6 1 0 12 7 1 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 13 36 1 0 14 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 M END