HMDB0304035 RDKit 3D 19-oxoandrostenedione 46 49 0 0 0 0 0 0 0 0999 V2000 3.0336 -1.5316 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4388 -0.3139 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 -0.7128 1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -0.4187 1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 0.5348 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 0.4247 -0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2371 -0.9738 -1.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1598 -0.9754 -2.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 -0.7307 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1177 -1.5478 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0686 -1.3634 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8251 -2.2634 0.7311 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0633 0.0218 0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 0.2972 1.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 0.3676 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2038 1.6419 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4119 2.6045 0.0618 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 0.5992 -0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 1.9979 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 1.8986 0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 0.4496 0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6732 -0.0517 1.3506 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 -2.4472 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0671 -1.7517 0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 -1.3216 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 -0.2898 2.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6616 -1.8286 1.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 -0.0141 2.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5047 -1.3553 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 1.5761 0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1111 1.1936 -1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 -1.2262 -2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2404 -1.6657 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 -1.9647 -2.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1954 -0.1465 -2.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2955 -2.3542 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7806 0.1125 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3143 0.7314 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2655 -0.4426 2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6232 1.3197 1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 1.6805 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 0.4274 -1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 2.5891 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4184 2.5924 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 2.4842 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8699 2.1466 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 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 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 6 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 18 2 1 0 21 2 1 0 15 5 1 0 15 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 10 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 16 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 M END