HMDB0060756 RDKit 3D 3b-Hydroxydesogestrel 54 57 0 0 0 0 0 0 0 0999 V2000 2.9066 -1.5058 2.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1129 -0.7668 1.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 0.1301 0.7919 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5924 -0.2341 0.2648 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 1.5729 1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9401 2.0763 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 0.7928 0.6440 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0679 0.8763 -0.0626 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9849 1.9492 0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1921 1.9717 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 0.6566 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0977 0.6527 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8782 -0.5762 0.6217 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2006 -0.3643 0.2423 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 -1.7447 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7618 -1.7507 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0817 -0.5801 -0.4497 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6798 -0.5137 -0.0128 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2606 -1.4227 -0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 -2.2339 -1.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 -1.3922 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 -0.0047 -0.1572 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4767 0.5746 -1.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6366 -0.0236 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 -2.1736 3.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2648 0.4746 0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1253 2.1959 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6492 2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 2.7787 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 2.6013 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 0.3013 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 1.1313 -1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 2.8788 0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3748 1.6639 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8502 2.8199 -0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 1.9177 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5673 1.6436 0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8417 -0.7681 1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4488 0.5748 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6565 -2.6725 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -1.8129 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 -1.5829 1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 -2.7044 0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1457 -0.7383 -1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5953 -0.8056 1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 -2.8875 -2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 -2.3391 -2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2686 -1.9213 -1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 -1.9969 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5801 1.6711 -1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5786 0.3411 -2.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 0.4718 -1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -1.1121 -2.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 0.2604 -3.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 3 2 1 1 3 4 1 0 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 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 3 19 21 1 0 21 22 1 0 22 23 1 6 23 24 1 0 22 3 1 0 22 7 1 0 18 8 1 0 17 11 1 0 1 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 1 8 32 1 6 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 12 37 1 0 13 38 1 1 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 17 44 1 6 18 45 1 1 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 24 54 1 0 M END