HMDB0061106 RDKit 3D 6beta-hydroxybudesonide 66 70 0 0 0 0 0 0 0 0999 V2000 4.1433 2.1315 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3086 1.1946 -2.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3645 0.0622 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 -0.8836 -1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -1.9378 -1.4996 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -1.5184 -0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 -2.2885 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2001 -1.3599 0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 -0.9274 0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 -1.5032 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8454 -1.1892 -0.3699 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4004 -1.7128 0.7675 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9453 0.3248 -0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7002 0.8896 -1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8692 2.3379 -1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5962 2.9025 -2.1754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1065 3.0712 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3519 2.4941 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1953 1.0586 0.6709 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9069 0.6926 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 0.5662 0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 1.1803 -0.1956 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1287 2.5576 -0.2863 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 1.0039 0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8261 -0.2986 1.0128 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1439 0.0155 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0431 -1.0267 0.4447 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6068 -2.0083 1.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8694 -2.8638 1.8153 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9814 -2.2295 1.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9705 -1.3996 1.4591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 -0.1787 -0.1572 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 2.5821 -1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3986 1.6228 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8647 2.9950 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3572 0.8330 -2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1826 1.8043 -3.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 0.4028 -2.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -0.5464 -3.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3754 -1.2528 -1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -0.6757 -1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 -2.3747 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -3.3125 0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.9961 1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 -1.3293 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3469 -2.6317 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -1.1167 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 -1.6273 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7969 -2.6137 0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2444 0.2416 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1596 4.1856 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8071 3.1663 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8847 0.2588 1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -0.0078 2.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 1.5911 2.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4312 0.8500 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9934 0.7727 -1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 2.9294 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 1.8667 1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 1.2081 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 -0.6842 3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 1.0305 2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 0.1135 2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 -3.2742 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -2.2953 2.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 -1.8730 1.1875 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 1 19 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 1 25 27 1 0 27 28 1 1 28 29 2 0 28 30 1 0 30 31 1 0 27 32 1 0 32 4 1 0 27 6 1 0 25 8 1 0 21 9 1 0 19 13 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 6 12 49 1 0 14 50 1 0 17 51 1 0 18 52 1 0 20 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 22 57 1 6 23 58 1 0 24 59 1 0 24 60 1 0 26 61 1 0 26 62 1 0 26 63 1 0 30 64 1 0 30 65 1 0 31 66 1 0 M END