HMDB0015512 RDKit 3D Clotiazepam 36 38 0 0 0 0 0 0 0 0999 V2000 3.5877 -2.1540 1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -1.7965 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -0.6971 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.7902 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 0.3428 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 1.5152 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7006 1.0011 -0.0863 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 2.8823 -0.3983 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 3.8255 0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 3.3029 -1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 4.4787 -1.0434 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3902 2.4110 -1.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 1.2267 -1.2303 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1017 0.3296 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8835 -0.7234 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -1.6935 0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -2.7021 1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5754 -2.7435 0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0794 -1.7884 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2225 -0.7957 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 0.4096 -1.4434 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3363 -1.2886 2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 -2.4497 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -2.9550 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -1.5076 -0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 -2.6615 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6649 -1.8104 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3151 3.7935 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 3.6431 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1954 4.8433 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 2.9148 -2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7738 2.1005 -2.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -1.6418 1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8373 -3.4396 2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2058 -3.5453 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1123 -1.8369 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 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 21 1 0 7 3 1 0 20 15 1 0 14 5 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 4 27 1 0 9 28 1 0 9 29 1 0 9 30 1 0 12 31 1 0 12 32 1 0 16 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 M END