HMDB0014758 RDKit 3D Triamcinolone 55 58 0 0 0 0 0 0 0 0999 V2000 1.3468 1.2233 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4672 0.4610 -0.0256 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7684 1.1861 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7073 1.2098 -1.0389 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0380 2.4037 -0.3551 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 0.0017 -0.5106 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4558 -0.9208 -1.5644 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5549 -0.7207 0.5639 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1085 -2.0822 0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 -2.1846 0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3238 -1.1938 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4691 -1.5504 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2337 -0.6156 -1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3218 -1.0039 -1.6601 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7409 0.7362 -1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5829 1.0663 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 0.1803 0.0213 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7316 0.7393 1.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 -0.9067 0.0080 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7756 -1.6975 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 -1.3723 0.0429 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1719 -2.0907 -1.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8798 0.0992 -0.3500 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0909 0.2850 -1.7227 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 0.8662 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 0.8037 1.6593 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 1.7251 -0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6612 2.3653 0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 2.1248 1.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3271 1.6750 1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5742 0.6752 2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6741 -2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 2.2211 -1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 1.3866 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9386 3.1745 -0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5242 -0.1632 1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6793 -2.3896 1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -2.8121 0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9646 -2.1403 2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8688 -3.1986 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -2.5617 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 1.4253 -1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2612 2.0845 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7572 1.0942 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 1.5858 1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 -0.0416 2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8158 -1.2749 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 -1.3670 1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5373 -2.7666 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8954 -1.5206 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5666 -2.9751 -1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9822 -0.0576 -1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 2.4907 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 1.0727 -0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 2.5711 1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 6 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 1 8 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 6 23 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 19 2 1 0 23 2 1 0 17 6 1 0 17 11 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 4 34 1 6 5 35 1 0 8 36 1 1 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 12 41 1 0 15 42 1 0 16 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 19 47 1 6 20 48 1 0 20 49 1 0 21 50 1 1 22 51 1 0 24 52 1 0 27 53 1 0 27 54 1 0 28 55 1 0 M END