HMDB0004626 RDKit 3D Tetrahydrogestrinone 51 54 0 0 0 0 0 0 0 0999 V2000 -4.0672 1.7597 0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 0.3758 1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -0.3819 0.3049 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5323 -0.4419 -0.9299 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 -1.8732 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3416 -2.3071 0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 -1.0415 0.6068 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7390 -0.9522 -0.0111 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7354 -1.9605 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -1.8329 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -0.3857 -0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 -0.0475 -0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8481 1.3741 -0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0165 1.7551 -1.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8613 2.4254 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 1.9012 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 0.6406 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 0.4045 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 1.3830 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0024 1.2703 0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.0803 0.0769 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2094 0.4663 -1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -0.5605 -2.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1666 1.8406 0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9355 2.5399 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5554 2.1272 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1818 0.4821 2.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 -0.1615 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4093 -0.8183 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0486 -1.8708 1.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5123 -2.4796 0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 -2.9406 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1497 -2.9904 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4292 -0.8353 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7985 -1.0833 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3218 -2.9679 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 -1.7217 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7963 -2.3918 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -2.2760 -1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -0.8027 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 3.3334 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 2.6577 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5821 2.6443 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0047 1.6515 1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7312 2.2151 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6657 1.9754 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2017 0.9750 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9115 1.3015 -1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 -1.5786 -2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2085 -0.2879 -3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 -0.5887 -3.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 6 3 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 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 6 22 23 1 0 21 3 1 0 21 7 1 0 18 8 1 0 17 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 1 8 35 1 6 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 12 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 19 45 1 0 20 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 M END