HMDB0251062 RDKit 3D Desmethylsibutramine 42 43 0 0 0 0 0 0 0 0999 V2000 -0.8815 -2.2102 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 -0.8741 -1.1009 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 -0.0341 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 0.1682 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 0.7911 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 2.1286 -0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 -0.1566 -1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 -0.1895 0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 0.1405 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8928 -0.7941 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 -0.4398 -0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 0.8556 -1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5774 1.2836 -2.1898 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 1.8152 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 1.4355 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 0.5103 2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 -0.7353 2.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -1.4698 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 -2.5528 -2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4954 -2.5757 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 -2.8504 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3094 -0.5118 -2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 1.0316 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8808 0.7876 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3041 -0.8212 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 0.9944 0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 2.7690 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7122 2.5643 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9379 1.9546 -1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3426 0.2284 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5592 -1.1265 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -0.2354 -2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -1.7931 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7557 -1.2183 -0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3474 2.8073 -1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2851 2.1586 -0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.4351 2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6999 0.6872 2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 -0.9716 3.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 -0.9534 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 -1.6866 2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2353 -2.3462 1.3201 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 5 7 1 0 3 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 8 16 1 0 16 17 1 0 17 18 1 0 18 8 1 0 15 9 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 7 32 1 0 10 33 1 0 11 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 M END