HMDB0015060 RDKit 3D Cyclobenzaprine 42 44 0 0 0 0 0 0 0 0999 V2000 4.0726 0.4577 0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -0.2007 -0.2064 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 -1.2376 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6649 0.7460 -1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 1.3988 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 0.3056 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 0.1436 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 -1.1541 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 -1.6191 1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7745 -2.8113 2.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8527 -3.5243 1.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 -3.0469 0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 -1.8516 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0816 -1.4840 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -0.2757 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6483 0.9817 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 2.0557 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9627 3.3243 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8151 3.4828 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 2.4149 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 1.1732 -0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 0.4228 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 1.5179 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 -0.0527 0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0134 -1.4283 -0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4837 -2.2106 -0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 -1.0697 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 1.5092 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 0.1791 -1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 1.9351 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 2.1126 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2586 -0.5475 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -1.0395 2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2134 -3.2130 3.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -4.4793 2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4263 -3.5640 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6406 -2.2661 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9491 -0.2109 -2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2763 1.9521 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 4.2136 -1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 4.4667 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 2.4936 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 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 19 20 1 0 20 21 2 0 21 7 1 0 13 8 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 14 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 M END