HMDB0014586 RDKit 3D Betamethasone 57 60 0 0 0 0 0 0 0 0999 V2000 3.8324 1.4069 1.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5594 0.6539 1.7007 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4264 1.5435 1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4793 0.4797 0.7966 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7442 0.8505 0.0383 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4891 1.8703 0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7486 2.2608 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5225 0.9563 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 0.9231 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5013 -0.2948 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 -0.3692 1.1042 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9431 -1.4828 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7466 -1.3826 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 -0.1944 -0.6200 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7625 0.1745 -2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 -0.4501 0.0248 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8230 -0.7126 1.3642 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 -1.6045 -0.5300 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9709 -1.7476 -1.9176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 -1.6891 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3334 -0.3931 -0.1251 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4729 0.2093 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6161 -0.4233 0.6347 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7158 -1.6991 1.2214 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8098 -0.2494 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9727 0.7823 -0.8629 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 -1.3201 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8645 -0.9225 -1.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 1.8194 2.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6732 0.7021 1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 2.2731 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2435 0.1722 2.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1084 2.1744 2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8476 2.1262 0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.1066 1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 1.2650 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8814 2.7251 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8649 1.3262 1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4743 2.6310 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2878 2.9968 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1516 1.8084 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4862 -2.4323 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 -2.3369 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 0.7107 -2.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9176 -0.7463 -2.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6287 0.8219 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3176 -2.5376 -0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 -2.7194 -2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -2.2347 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -2.3342 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -0.3661 -2.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 0.0042 -2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6515 1.2832 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -2.3320 0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 -2.2494 -0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2991 -1.5572 0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2832 -0.0633 -0.9546 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 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 6 14 16 1 0 16 17 1 1 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 23 24 1 1 23 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 23 2 1 0 21 4 1 0 16 5 1 0 14 8 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 1 5 36 1 6 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 9 41 1 0 12 42 1 0 13 43 1 0 15 44 1 0 15 45 1 0 15 46 1 0 18 47 1 1 19 48 1 0 20 49 1 0 20 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 24 54 1 0 27 55 1 0 27 56 1 0 28 57 1 0 M END