HMDB0259331 RDKit 3D Tx 60 42 41 0 0 0 0 0 0 0 0999 V2000 5.1009 1.3226 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4578 0.0493 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 -0.3042 -0.6179 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -1.7175 -0.1021 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8582 -3.0446 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7115 -2.1617 -1.2073 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -1.3651 1.6266 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 -1.1935 1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4595 0.0332 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 0.2731 -0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 1.3942 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 1.1913 -2.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3326 1.9831 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7449 -0.2118 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7211 0.4183 2.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1805 -0.3523 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7095 1.1582 -1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2959 2.0466 -0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6842 1.8297 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2675 -0.7408 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 0.1827 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 -3.1926 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 -2.7705 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3318 -3.9877 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -2.0735 0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 -1.1688 2.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 0.9300 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 -0.0652 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3897 2.2245 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3496 1.8212 -2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 1.4856 -3.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9238 0.1416 -2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0941 1.3410 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 2.8132 -1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 2.5445 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 -1.2933 1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8483 -0.3384 3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 0.9696 2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6119 1.1093 2.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 0.5866 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7039 -1.0815 1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3514 -0.7863 -0.5069 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 4 6 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 1 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 5 22 1 0 5 23 1 0 5 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 M END