HMDB0041890 RDKit 3D Etizolam 38 41 0 0 0 0 0 0 0 0999 V2000 3.2323 3.4881 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7557 3.3423 0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 1.8925 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1866 1.2783 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 -0.0395 0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 -0.6723 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 0.5744 -0.0371 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 -2.0812 -0.1954 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 -2.5509 -0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4977 -1.6579 -1.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4618 -3.8804 -0.8641 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 -4.2004 -0.0666 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 -3.1051 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 -2.9950 1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 -2.0343 0.8213 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 -0.7915 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4104 -0.1704 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 1.0598 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 1.6329 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9186 0.9376 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -0.3198 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -0.8413 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5392 -2.4492 1.1462 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7738 3.1982 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4987 4.5090 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 2.7227 -0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4768 3.6935 1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1798 3.8899 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 1.9054 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9088 -0.9373 -2.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0984 -1.1667 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1187 -2.2570 -2.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0492 -2.7368 2.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8521 -3.9879 1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 1.6334 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8856 2.6275 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9167 1.3297 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 -0.8398 0.4520 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 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 13 14 1 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 21 22 2 0 22 23 1 0 7 3 1 0 13 8 1 0 22 17 1 0 16 5 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 4 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 14 33 1 0 14 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 M END