HMDB0000374 RDKit 3D 17-Hydroxyprogesterone 54 57 0 0 0 0 0 0 0 0999 V2000 -4.9720 -0.9828 0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 -1.0946 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6716 -1.9423 -1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1758 -0.2365 -0.7900 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7515 -0.4888 -2.1229 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 1.2496 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0736 1.9005 -0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 0.7532 -0.6698 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2188 0.9180 -0.0683 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9390 2.0000 -0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 2.2767 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 1.0106 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3306 1.1015 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1933 -0.0866 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3785 -0.0314 0.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 -1.3908 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1805 -1.2421 -0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4069 -0.3198 0.0384 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6521 -0.8555 1.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9663 -0.3761 -0.3318 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2163 -1.4788 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 -1.6138 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 -0.3419 0.0667 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1562 0.0498 1.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 -1.0724 0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 0.0122 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7574 -1.8333 1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 0.0719 -2.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9467 1.6225 -1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 1.4812 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9246 2.5670 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9959 2.4630 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 0.4456 -1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2213 1.1641 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1579 1.5393 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 2.8947 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 3.0794 -0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 2.5885 0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 2.0675 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 -1.7421 -1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7378 -2.0862 0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 -2.2217 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -0.7457 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6496 -0.5539 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9188 -0.4327 2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 -1.9538 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 -0.5886 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -2.4524 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1645 -1.1923 1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 -1.8965 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 -2.4036 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 0.9886 1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 0.1626 2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7073 -0.7509 2.0141 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 6 4 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 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 1 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 4 1 0 23 8 1 0 20 9 1 0 18 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 6 9 34 1 1 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 13 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 6 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