HMDB0014853 RDKit 3D Paroxetine 44 47 0 0 0 0 0 0 0 0999 V2000 3.5664 4.4912 -1.4288 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2868 3.2514 -0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 3.0560 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 1.7975 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7252 0.7617 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 -0.5792 0.6049 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4886 -1.5955 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 -2.8735 0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8585 -3.3517 0.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -2.3952 0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 -1.1247 0.1443 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0383 -0.1626 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2115 -0.7706 -0.0888 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 -0.1715 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5964 1.0932 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 1.7220 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9739 1.0745 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8506 -0.1864 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5996 -0.7941 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1262 -0.5742 -0.8274 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0652 0.3144 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3034 1.4738 0.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 0.9477 -1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0371 2.2051 -1.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4521 3.8756 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 1.6571 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 -0.5560 1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 -1.2426 0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3068 -1.8297 -0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9973 -2.5242 2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9221 -3.6304 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 -3.3882 -0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -2.7718 0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 -2.1617 2.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 -1.3596 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2077 0.7827 -0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 0.1056 1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 1.5816 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9378 2.6997 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4886 -1.7763 -0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4514 -0.0950 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8577 0.5497 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 0.1109 -2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0621 2.3632 -2.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 5 23 1 0 23 24 2 0 24 2 1 0 11 6 1 0 19 14 1 0 22 17 1 0 3 25 1 0 4 26 1 0 6 27 1 1 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 6 12 36 1 0 12 37 1 0 15 38 1 0 16 39 1 0 19 40 1 0 21 41 1 0 21 42 1 0 23 43 1 0 24 44 1 0 M END