HMDB0256171 RDKit 3D Abexinostat 52 54 0 0 0 0 0 0 0 0999 V2000 -4.7185 1.7511 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4067 0.4137 -1.3497 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3815 0.3932 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 -0.1074 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 -0.5779 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2594 -1.0175 1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 -1.1187 1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 -1.4002 2.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -0.9439 -0.0657 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 -1.0947 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7331 -0.8781 -1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0726 -1.0005 -1.6493 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1402 -0.3538 -1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4297 -0.7760 -1.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 -0.1437 -1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4794 0.9430 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6673 1.6371 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5676 2.5075 1.1423 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9272 1.3537 -0.2945 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0223 2.0207 0.1878 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 1.3826 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0731 0.7478 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7874 -1.3778 2.6121 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0702 -1.2131 2.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9957 -1.4709 3.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3297 -1.2277 3.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7191 -0.7338 2.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7865 -0.4808 1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4438 -0.7150 1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 1.8791 -0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 2.5326 -1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4504 1.8718 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4280 0.2821 -3.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7849 -0.4120 -3.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 1.3906 -3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9065 -0.9692 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4055 0.6681 -0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 -0.7364 -0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 -2.1239 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6019 -0.3439 0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 -1.5635 -2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 0.1935 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5266 -1.6297 -2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 -0.5396 -1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0611 0.6599 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7860 2.8494 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 2.2447 0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1416 1.1774 -0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -1.8566 4.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0673 -1.4226 4.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7595 -0.5394 2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1402 -0.1308 0.3086 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 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 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 17 19 1 0 19 20 1 0 16 21 1 0 21 22 2 0 6 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 5 1 0 22 13 1 0 29 24 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 14 43 1 0 15 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 28 52 1 0 M END