HMDB0015633 RDKit 3D Amisulpride 52 53 0 0 0 0 0 0 0 0999 V2000 4.5714 2.5607 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 1.2806 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 0.1309 0.0553 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3244 -1.0376 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 -1.3201 -1.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2477 -0.5560 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2791 -0.0611 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7788 -1.1094 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3603 -1.3867 0.6596 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3928 -0.3875 0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8024 0.7994 1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 -0.5548 0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 0.5544 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2367 0.4851 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2547 1.8610 1.2612 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.1665 1.6484 2.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 3.0527 1.5004 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2165 2.1980 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1223 3.3870 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8358 -0.7121 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2446 -0.7697 0.5437 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 -1.8355 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6811 -1.7186 0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9433 -2.8497 0.1875 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5364 -4.0769 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2491 3.3880 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 2.7102 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6398 2.5101 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0039 1.1784 -1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2748 1.3547 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3662 -0.7243 -0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3666 -1.9028 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3582 -2.4143 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 -0.9657 -2.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 0.3032 -2.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 -1.2017 -1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 0.8899 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3962 -2.0257 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 -0.7777 1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1087 -2.3440 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 1.4972 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8701 1.3238 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5596 2.3331 -1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6324 3.3146 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5234 4.3103 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8636 3.3681 -0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8267 -0.4319 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7727 -1.1361 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5478 -2.7696 0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 -4.4910 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2495 -3.9750 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7499 -4.7888 -0.4905 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 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 18 19 1 0 14 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 7 3 1 0 23 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 13 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 25 50 1 0 25 51 1 0 25 52 1 0 M END