HMDB0014976 RDKit 3D Clocortolone 56 59 0 0 0 0 0 0 0 0999 V2000 -2.9852 0.3032 -2.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 0.7534 -1.1617 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4401 1.4887 -1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5569 0.4400 -0.5871 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7663 0.8411 -0.0160 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5168 1.7671 -0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8951 1.9941 -0.3115 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6430 2.8909 -0.9875 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 0.5988 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 0.3728 -1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 -0.9508 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1074 -1.1720 -2.0253 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5642 -1.9831 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5475 -1.7078 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 -0.4176 0.5166 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1765 -0.0280 1.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4207 -0.4720 0.3482 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1035 -1.6936 -0.9438 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -1.0097 1.5539 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7760 -0.2398 2.6846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 -1.2892 1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4145 -0.1084 0.5298 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9542 0.9346 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 -0.5332 -0.3551 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7707 -0.9196 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7355 -1.0246 1.6094 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0385 -1.1904 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0352 -1.5407 0.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3786 0.9464 -3.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 -0.7325 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 0.3411 -2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6075 1.3632 -0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 1.8176 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5037 2.3984 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4798 -0.3773 -1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5513 1.3953 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 1.3809 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 2.7512 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 2.2403 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9014 1.1878 -1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9537 -3.0177 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -2.5817 0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2808 0.1273 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 0.8980 2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9543 -0.9324 2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 -2.0310 1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2127 0.5398 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8311 -2.2017 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 -1.4600 2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1512 0.4691 2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 1.8606 1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9742 1.3159 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2271 -1.3573 -0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8976 -1.9334 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 -0.2572 -0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 -0.7261 0.9063 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 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 1 15 17 1 0 17 18 1 6 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 24 2 1 0 22 4 1 0 17 5 1 0 15 9 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 1 3 33 1 0 3 34 1 0 4 35 1 6 5 36 1 1 6 37 1 0 6 38 1 0 7 39 1 1 10 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 16 44 1 0 16 45 1 0 19 46 1 1 20 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 24 53 1 6 27 54 1 0 27 55 1 0 28 56 1 0 M END