HMDB0000995 RDKit 3D 16-Dehydroprogesterone 51 54 0 0 0 0 0 0 0 0999 V2000 4.7118 1.8178 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 0.4220 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7624 -0.0618 -0.9118 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4783 -0.4254 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 -1.6868 -0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 -2.2726 -0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 -1.0379 -0.7659 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0508 -1.0664 -0.1369 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9280 -2.2072 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 -2.1560 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8311 -0.8445 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1424 -0.8396 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 0.3500 -0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1815 0.3177 -0.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 1.6240 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7729 1.3322 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 0.4065 -0.1580 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1556 1.1445 1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 0.2827 -0.5401 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1589 1.3886 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 1.2897 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1483 -0.0579 0.0497 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0488 -0.3749 1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 1.8663 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7965 2.1271 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1911 2.5239 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3201 -2.2081 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8457 -2.9408 -1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9832 -2.8377 0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2802 -0.6599 -1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 -1.0556 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 -2.0026 -1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3816 -3.1433 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7789 -2.1337 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 -2.9901 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6925 -1.7844 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6756 2.1686 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2218 2.2595 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7764 0.8763 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2116 2.3001 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 0.6177 1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 1.0869 1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8994 2.2136 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.3126 -1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0452 1.5512 1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1936 2.3435 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 1.4749 -1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1165 2.0698 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 0.2323 2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 -0.1774 1.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 -1.4353 1.7321 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 2 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 1 1 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 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 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 6 8 31 1 1 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 12 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 6 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 M END