HMDB0004031 RDKit 3D 11beta-Hydroxyprogesterone 54 57 0 0 0 0 0 0 0 0999 V2000 5.5741 1.0275 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 0.9851 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0629 1.6154 0.9074 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 0.2381 -0.6730 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3763 -1.2549 -0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -1.9556 -0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -0.8260 -0.5429 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2481 -1.0429 0.1147 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0778 -1.9993 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1129 -1.3907 -1.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -0.3822 -0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1142 -0.0648 -1.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9127 0.9380 -0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9409 1.4268 -1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 1.3826 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9693 1.5981 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 0.2328 0.3386 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7624 -0.6450 1.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 0.3174 0.1028 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1881 1.3131 0.9537 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0085 0.9249 2.2545 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1769 1.5364 0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8837 0.2345 0.2275 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3292 -0.2394 1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3156 1.0406 0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6956 1.9921 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 0.2168 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7817 0.5768 -1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0717 -1.6178 -0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 -1.5505 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -2.4832 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8405 -2.7169 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 -0.4414 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 -1.3903 1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 -2.7473 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 -2.5827 -1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8042 -2.2254 -1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6674 -1.0018 -2.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -0.5391 -2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 0.5550 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9989 2.3135 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 1.9515 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7867 2.3158 -0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -1.3031 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 -0.0210 2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 -1.2761 1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7938 0.6855 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 2.2741 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.8688 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7727 2.2457 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9531 1.8950 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 -1.0704 1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 0.6228 2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -0.5571 1.5882 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 1 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 6 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