HMDB0013950 RDKit 3D 1-Hydroxycarvedilol 57 60 0 0 0 0 0 0 0 0999 V2000 -7.5646 1.6650 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4395 0.8781 -0.8758 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4174 0.2396 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4719 0.3696 1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4431 -0.2715 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3534 -1.0365 2.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 -1.1582 1.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3066 -0.5302 0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -0.6160 -0.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0928 -1.2081 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0549 -0.7805 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7441 0.6282 0.5838 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 1.0424 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3372 0.5032 -0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8128 1.0181 -1.9602 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 1.0485 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 0.7300 0.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -0.4183 0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6662 -1.6414 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4698 -2.7836 0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -2.7510 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 -3.8792 0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4112 -1.5146 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7175 -1.1723 -0.1026 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7617 0.1865 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8357 1.0104 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5865 2.3797 -0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2935 2.8872 -0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 2.0365 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4749 0.6991 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 -0.3760 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4654 1.0472 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4758 2.0114 -2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6008 2.5695 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3489 0.9715 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2987 -0.1533 3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3097 -1.5499 3.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4766 -1.7886 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1746 -2.3314 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7151 -1.0730 -1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1315 -1.3854 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3878 -0.9822 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 1.1480 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6327 0.6392 -1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 2.1463 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.5650 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 0.2929 -2.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 2.1621 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 0.7324 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5983 -1.7715 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0037 -3.7503 0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -3.7887 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5032 -1.8376 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8382 0.6056 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4192 3.0526 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1966 3.9604 -0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2389 2.4529 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 8 3 1 0 31 18 1 0 31 23 2 0 30 25 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 19 50 1 0 20 51 1 0 22 52 1 0 24 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 M END