HMDB0248251 RDKit 3D Alphadolone acetate 62 65 0 0 0 0 0 0 0 0999 V2000 -6.3718 1.9954 -1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8566 1.0543 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4733 1.5451 1.0972 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7892 -0.3044 -0.1955 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3074 -1.2471 0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8543 -1.1197 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3306 -1.8290 1.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -0.2359 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0175 -0.4440 -1.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5854 -0.2685 -1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 0.1781 -0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6053 0.3060 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3601 -0.7234 -1.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 -1.5455 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 -0.6795 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.3367 -0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4112 0.6033 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 -0.0179 0.9396 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7098 1.8738 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.7739 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6537 0.5100 0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 0.5184 2.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 0.5500 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -0.2964 1.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0602 -1.0011 2.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -0.2379 1.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 -0.6806 0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -2.1353 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9689 2.7608 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0559 1.4866 -1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5269 2.4512 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -2.2894 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8238 -1.0904 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0628 0.7909 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 0.3867 -1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4285 -1.4265 -1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 -1.1544 -2.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 0.5597 -2.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2677 1.2157 -0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7972 1.2831 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 -1.4184 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 -0.2497 -2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 -2.1541 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.2410 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -1.3570 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 -1.2888 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 0.0527 -1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2362 0.8133 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 -0.0438 0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 2.2599 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 2.6598 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8039 2.6236 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 1.9397 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -0.5062 2.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 1.1432 2.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 0.9741 2.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 1.5934 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 0.8568 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -0.7926 2.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 -2.4864 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3968 -2.5110 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 -2.6467 1.1521 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 2 0 6 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 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 27 8 1 0 27 11 1 0 23 12 1 0 21 15 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 5 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 22 54 1 0 22 55 1 0 22 56 1 0 23 57 1 0 26 58 1 0 26 59 1 0 28 60 1 0 28 61 1 0 28 62 1 0 M END