HMDB0062782 RDKit 3D Pregnanolone 57 60 0 0 0 0 0 0 0 0999 V2000 -5.9040 0.8679 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5452 0.3099 -1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3851 -0.3754 -2.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 0.5943 -0.0956 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7585 0.1276 1.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 -0.2258 1.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 0.2480 0.8887 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1075 -0.3296 0.8770 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5402 -0.0319 2.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 0.4201 2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6717 -0.4051 0.9752 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1076 0.0009 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -0.2839 -0.1951 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1773 0.1426 -0.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2291 0.6754 -1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7825 0.4352 -1.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 -0.2999 -0.3522 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7423 -1.7002 -0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 0.3800 -0.1947 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0036 0.5465 -1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4593 0.4465 -1.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1747 -0.1176 -0.3948 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4701 -1.5780 -0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2315 0.7914 0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8589 1.9602 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6591 0.4362 -1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2759 1.6782 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2327 0.9853 1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4682 -0.7053 1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2795 0.3731 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 -1.3095 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3786 1.3541 0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -1.4137 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 0.7559 2.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4974 -0.9403 2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0916 1.4913 1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 0.1543 3.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 -1.4619 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5671 -0.4378 1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1191 1.1243 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 -1.3299 -0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2733 1.1127 -0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 0.6477 -2.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3914 1.6941 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 1.4454 -1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6902 -0.0970 -2.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 -2.4796 -0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -1.8613 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3306 -1.9072 -1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 1.3912 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3015 1.5561 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 -0.1708 -2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.4449 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 -0.1782 -2.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7441 -2.2358 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -1.8234 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 -1.8923 -1.5496 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 1 0 12 13 1 0 13 14 1 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 21 22 1 0 22 23 1 6 22 4 1 0 22 7 1 0 19 8 1 0 17 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 1 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 6 8 33 1 6 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 1 12 39 1 0 12 40 1 0 13 41 1 6 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 18 47 1 0 18 48 1 0 18 49 1 0 19 50 1 1 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 23 55 1 0 23 56 1 0 23 57 1 0 M END