HMDB0041858 RDKit 3D Clobenzorex 36 37 0 0 0 0 0 0 0 0999 V2000 -0.7277 1.5631 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 0.3369 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.7375 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9474 -0.3487 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6488 0.2095 1.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9643 0.5772 0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6044 0.3927 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9164 -0.1652 -1.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5965 -0.5295 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 -0.2496 0.1028 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 0.6882 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 0.1336 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -1.1261 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -1.5509 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8036 -0.7550 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5067 0.5092 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 0.9275 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 2.5501 -1.1799 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 2.4250 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5205 1.3976 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8158 1.8419 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7022 0.6483 -1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 -1.6084 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3344 -1.0863 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 0.3792 2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5381 1.0262 1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 0.6992 -0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4508 -0.2967 -2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 -0.9685 -1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -1.1862 -0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6286 0.8631 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7123 1.6003 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 -1.7505 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 -2.5554 0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8413 -1.1056 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3214 1.1562 -0.7678 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 10 1 0 10 11 1 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 9 4 1 0 17 12 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 M END