HMDB0000920 RDKit 3D 11a-Hydroxyprogesterone 54 57 0 0 0 0 0 0 0 0999 V2000 5.2397 -1.7294 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8401 -1.2219 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 -2.0066 -1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3736 0.0772 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4785 0.3305 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 0.1531 1.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2437 -0.1220 0.8301 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1720 0.3153 0.9114 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7830 -0.2867 2.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 -0.0752 2.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -0.1037 0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2723 -0.2408 0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0715 -0.2835 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 0.1037 -0.3366 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 -0.8237 -1.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9296 -1.0781 -1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 0.0084 -0.3932 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6398 1.3881 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8455 -0.1751 -0.3537 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1358 0.5327 -1.5117 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6887 0.1570 -2.7337 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3196 -0.0080 -1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 0.4914 -0.3409 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9589 2.0150 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 -1.1199 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 -1.8286 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1495 -2.7428 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 0.8408 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 1.3976 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 -0.2704 1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 1.0207 2.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 -0.7428 2.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2373 -1.2249 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 1.3932 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 0.2113 3.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 -1.3615 2.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4723 0.9304 2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6681 -0.8124 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -0.3252 1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8965 -1.7807 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 -0.1236 -2.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 -2.0210 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4418 -1.2705 -2.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0913 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6548 1.7131 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4693 1.4972 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -1.2528 -0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 1.6149 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 0.2497 -3.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 -1.1042 -1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7403 0.3269 -2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9869 2.4225 -0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7301 2.4523 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3255 2.4020 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 6 17 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 1 23 4 1 0 23 7 1 0 19 8 1 0 17 11 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 6 8 34 1 1 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 12 39 1 0 15 40 1 0 15 41 1 0 16 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 1 21 49 1 0 22 50 1 0 22 51 1 0 24 52 1 0 24 53 1 0 24 54 1 0 M END