HMDB0246463 RDKit 3D 4-Hydroxypenbutolol 51 52 0 0 0 0 0 0 0 0999 V2000 5.1753 -0.9279 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1004 0.0877 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7749 1.1517 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6244 0.7472 1.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 -0.5098 -0.2149 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3327 -1.5674 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3572 -2.0978 -0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -2.5774 -1.6842 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4609 -0.9815 -1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 -0.4020 -0.3007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 0.1748 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 0.8509 1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5786 1.4512 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9266 1.4029 2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 1.9906 3.1434 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3947 0.7508 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5116 0.1599 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 -0.5301 -0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -0.7017 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0089 0.4912 -1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8445 1.2355 -2.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6432 0.3225 -2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3138 -1.6519 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0996 -0.3129 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 -1.3568 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0553 1.9178 -0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 0.6997 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 1.6648 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 0.2431 2.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 0.7188 2.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 1.8165 1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4471 -0.8076 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 -1.2675 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0546 -2.3999 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 -2.8998 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8656 -2.1593 -2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -1.4303 -2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 -0.2326 -1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3605 0.9011 1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 1.9687 3.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8258 1.9707 2.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 0.7616 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5134 -1.5295 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9002 -0.8627 0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7357 -1.6325 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6433 1.1352 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7164 0.1389 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0482 1.3548 -3.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6093 2.1774 -1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4725 -0.3101 -3.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7064 0.8628 -1.8923 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 17 11 1 0 22 18 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 12 39 1 0 13 40 1 0 15 41 1 0 16 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 M END