HMDB0254770 RDKit 3D Mivebresib 51 54 0 0 0 0 0 0 0 0999 V2000 6.9459 -1.2430 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 -1.2922 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -2.2016 -0.6125 S 0 0 0 0 0 6 0 0 0 0 0 0 4.1208 -1.5236 -1.9618 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9068 -3.5853 -0.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9636 -2.3582 0.2504 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 -1.3224 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 -0.2827 1.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 0.6601 1.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 0.6063 1.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 1.6416 1.9294 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2149 2.5157 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5676 2.6706 1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 3.5519 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4976 4.2982 -0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1294 5.1584 -1.4946 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 4.1663 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4901 3.2894 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 3.1342 0.1628 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -0.4396 0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 -0.6150 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -0.6217 1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8123 -0.8283 0.8407 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9001 -0.8334 1.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 -1.0323 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2495 -1.2304 -0.8752 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0661 -1.0306 -1.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0537 -1.2048 -2.7535 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 -1.1122 -3.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 -0.8688 -2.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7579 -0.8211 -1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7816 -1.4137 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 -1.6099 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 -0.2139 -0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7222 -1.8863 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3479 -0.2352 0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 -1.7399 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6313 -3.3357 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 -0.2083 1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9213 1.4900 2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 2.1090 1.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2953 3.6228 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5801 4.7698 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -0.4623 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8056 -1.7664 2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8686 -0.8029 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7696 0.0138 2.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 -1.3878 -3.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -1.2049 -4.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 -0.7374 -2.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4274 -2.2463 -0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 2 0 3 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 10 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 20 32 2 0 32 7 1 0 18 12 1 0 31 21 1 0 31 27 2 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 6 38 1 0 8 39 1 0 9 40 1 0 13 41 1 0 14 42 1 0 17 43 1 0 22 44 1 0 24 45 1 0 24 46 1 0 24 47 1 0 28 48 1 0 29 49 1 0 30 50 1 0 32 51 1 0 M END