HMDB0059661 RDKit 3D QH(2) 38 38 0 0 0 0 0 0 0 0999 V2000 -4.3620 2.0679 -0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5118 1.1093 -1.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3145 0.7037 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 1.3818 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 2.4757 -1.7129 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 1.0188 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2775 1.8032 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.0384 0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 -0.4389 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3009 -1.1864 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 -0.8417 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2379 0.3745 0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 -1.7327 -1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 -0.7263 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 -1.7959 1.7884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 -0.3581 0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 -1.0749 0.6727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 -2.2020 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1595 3.0772 -0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 1.7763 -0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2681 2.1261 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 2.7433 -2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 2.1298 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9137 1.2471 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9691 2.7302 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8616 0.4524 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2368 -1.1520 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8763 -2.1042 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7315 0.9810 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 0.9881 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2571 0.0975 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1325 -2.0948 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -1.0703 -1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6084 -2.5376 -1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8078 -2.3111 2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6825 -3.1178 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9016 -2.1736 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2291 -2.3274 -0.9845 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 4 5 1 0 4 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 8 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 16 3 1 0 1 19 1 0 1 20 1 0 1 21 1 0 5 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 12 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 15 35 1 0 18 36 1 0 18 37 1 0 18 38 1 0 M END