HMDB0014734 RDKit 3D Halobetasol Propionate 64 67 0 0 0 0 0 0 0 0999 V2000 5.0449 2.1483 -2.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 2.1095 -1.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 0.7194 -1.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -0.1825 -1.6154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5103 0.4195 -0.4267 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1361 -0.8117 0.1201 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1322 -1.3543 1.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9528 -2.5305 1.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3226 -0.6748 1.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1529 -1.7997 2.7406 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 -1.7564 -0.9966 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8486 -3.2051 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -1.3328 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -1.2120 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5764 -0.7288 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3739 -1.4605 0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -1.1923 0.8208 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4414 -2.3353 0.3763 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0238 -0.0239 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9509 -0.1281 -1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2331 0.9088 -2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1246 0.8245 -2.8904 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3906 2.0805 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4613 2.1604 -1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 1.1437 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5099 1.8578 1.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 0.7677 0.0045 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2337 1.2324 -1.2290 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8618 1.3701 1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 1.0895 2.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 0.9305 1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7909 -0.5331 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 -1.2011 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 1.2097 -3.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9414 3.0220 -3.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 2.3227 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 2.5684 -2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0726 2.6990 -0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9799 0.1744 2.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 -0.3154 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 -1.5419 -1.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4059 -3.7662 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 -3.6399 -0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -3.5404 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -2.0931 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -0.3501 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 -2.2875 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9876 -1.0019 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 -2.5358 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -1.0964 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3119 -0.8878 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5654 -1.0549 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5061 2.9307 -2.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8293 3.1033 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 1.1297 2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 2.6868 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5251 2.3485 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8869 2.4718 0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 1.4643 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.2440 2.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 1.4692 0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 -2.2995 2.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 -0.7402 2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 -0.9934 2.7252 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 3 5 1 0 6 5 1 6 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 6 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 6 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 32 6 1 0 32 14 1 0 27 15 1 0 25 19 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 9 39 1 0 9 40 1 0 11 41 1 6 12 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 1 20 52 1 0 23 53 1 0 24 54 1 0 26 55 1 0 26 56 1 0 26 57 1 0 29 58 1 0 30 59 1 0 31 60 1 0 31 61 1 0 33 62 1 0 33 63 1 0 33 64 1 0 M END