HMDB0038939 RDKit 3D Panaquinquecol 4 42 43 0 0 0 0 0 0 0 0999 V2000 -4.9183 -0.1224 -0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6849 -0.3974 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0009 -0.4587 1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9577 -1.4930 1.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7506 -1.3573 0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0186 -0.0524 1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8355 0.0064 0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 1.2806 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 2.4983 0.1948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2471 2.0775 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 2.9163 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 2.0313 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 1.3170 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7626 0.4866 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 -0.2208 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 -1.0528 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1541 -1.3469 1.3394 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7341 -1.5803 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3425 -1.3892 -2.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 -0.4640 -1.7969 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0293 0.5213 -0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6134 0.4864 -1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7404 -1.0337 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2634 -1.3616 0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5208 0.3530 0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 0.5751 1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8131 -0.7018 2.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4494 -2.4991 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -1.5587 2.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0151 -2.1636 1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -1.4464 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6592 -0.1480 2.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6607 0.8033 1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -0.0830 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -0.8317 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 1.3178 1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0935 1.7289 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 3.4712 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 3.6792 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5912 -2.2099 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8192 -2.0535 -3.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -1.0777 -2.5311 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 1 0 10 11 1 0 11 12 1 0 12 13 3 0 13 14 1 0 14 15 3 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 10 8 1 0 20 18 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 M END