HMDB0000253 RDKit 3D Pregnenolone 55 58 0 0 0 0 0 0 0 0999 V2000 5.9957 -0.2681 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6054 0.0711 -0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 0.7658 -1.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 -0.4433 0.0063 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6667 0.0621 1.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 0.5651 1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -0.1353 0.9019 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0163 0.3226 0.8327 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7109 0.1085 2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 0.5472 1.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7268 0.4477 0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1354 0.9131 0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9786 -0.1566 -0.0007 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3535 0.2929 -1.2411 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1838 -1.4312 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 -1.2413 -0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1086 -0.1085 -0.4095 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0902 0.9668 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7062 -0.6095 -0.1513 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0068 -0.7834 -1.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 -0.9798 -1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1204 0.0206 -0.4036 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0943 1.3798 -1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7376 0.1365 -1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2022 0.2460 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 -1.3616 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 -1.5507 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3986 0.8867 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0101 -0.7813 2.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 1.6533 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 0.1258 2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 -1.2135 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 1.3685 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 -0.9783 2.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1668 0.7366 2.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6759 0.9771 2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6048 1.0411 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 1.9040 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9156 -0.3729 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5526 1.2579 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -2.3026 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7735 -1.5448 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3802 -1.0430 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -2.1893 -0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 0.5085 -2.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9654 1.6248 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 1.6161 -1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -1.5889 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2027 0.0163 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4241 -1.7151 -1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9029 -0.8566 -2.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 -2.0340 -1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 2.0106 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2009 1.2713 -2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 1.8455 -0.8595 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 2 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 1 8 33 1 6 9 34 1 0 9 35 1 0 10 36 1 0 12 37 1 0 12 38 1 0 13 39 1 1 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 18 45 1 0 18 46 1 0 18 47 1 0 19 48 1 1 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 23 53 1 0 23 54 1 0 23 55 1 0 M END