HMDB0247723 RDKit 3D a-Hydroxyprogesterone 54 57 0 0 0 0 0 0 0 0999 V2000 5.6215 0.3187 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -0.4471 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6644 -1.3899 -0.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1058 0.0019 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9774 1.4441 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 1.2656 -1.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 0.2515 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 0.8433 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 2.0012 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7632 2.3971 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 1.3163 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9984 1.5174 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 0.3821 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1089 0.4390 -0.2133 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 -0.8803 -0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -0.9891 -0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 -2.3325 -0.4387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 -0.0822 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -0.5523 1.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -0.1569 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.5307 0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 -1.4711 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 -0.7613 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 -1.8259 -1.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 0.8937 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8829 1.0724 -0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5121 -0.3582 0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0881 0.0655 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5848 2.1187 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 1.8571 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 0.9376 -2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 2.2608 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 -0.2059 -1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7386 1.3270 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 2.9159 -0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 1.6639 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 3.3929 0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 2.2397 1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 2.5480 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 -1.0139 -1.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8025 -1.7687 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3178 -0.7567 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2919 -2.9276 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2912 -1.6462 1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 0.0439 1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3932 -0.4623 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 -0.0336 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 -1.8118 -0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 -2.2814 1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 -2.5085 0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3207 -0.9116 1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7808 -2.7090 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7823 -1.4233 -2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 -2.2776 -1.6952 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 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 4 1 0 23 7 1 0 20 8 1 0 18 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 0 8 34 1 0 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 17 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 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