HMDB0015324 RDKit 3D Acebutolol 52 52 0 0 0 0 0 0 0 0999 V2000 -7.1942 0.3282 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2417 -1.0942 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4272 -1.1828 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9985 -0.8149 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6562 -0.5754 1.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0898 -0.7454 -1.0232 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 -0.4238 -1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0366 -0.2366 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6926 0.1045 0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0198 0.2629 -1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3195 0.6018 -1.1365 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9709 0.7803 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4419 1.1714 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 2.3847 -0.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 1.4499 1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 0.3047 2.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -0.6605 2.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3074 0.0114 2.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1212 -1.4441 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 0.0736 -2.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0903 0.2472 -3.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 0.6628 -3.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 0.0440 -4.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -0.2696 -2.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4317 0.3686 2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8579 0.9757 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1602 0.6478 2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8657 -1.7644 1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2918 -1.3238 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4829 -2.2629 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8882 -0.6098 -1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -0.9707 -1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 -0.3398 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 0.2542 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8779 -0.1634 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4741 1.5538 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9512 0.3855 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4454 2.1010 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 2.1447 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8475 2.0686 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 0.3473 3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -1.4224 2.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 0.7295 1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2065 0.5869 3.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 -0.7300 2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7514 -2.3589 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7051 -0.9522 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -1.7768 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 -0.0913 -3.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 0.7893 -4.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 1.6447 -3.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 -0.4107 -3.1665 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 10 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 20 24 2 0 24 7 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 6 32 1 0 8 33 1 0 9 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 19 47 1 0 19 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 24 52 1 0 M END