HMDB0061487 RDKit 3D PE(DiMe(11,5)/MonoMe(13,5)) 150151 0 0 0 0 0 0 0 0999 V2000 -3.4539 -6.2777 -6.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7759 -6.0819 -4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -6.1850 -4.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -5.9987 -3.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5523 -6.8618 -2.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1956 -6.7675 -1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -7.6365 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 -7.2910 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5801 -7.9428 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -6.2227 -1.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8216 -5.5596 -1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 -4.6270 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 -3.5528 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 -2.5771 0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7015 -1.5452 0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8803 -0.5439 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2804 -0.9683 -1.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 0.2274 -2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 0.9772 -2.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4975 2.1244 -3.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 2.9608 -3.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5665 4.0780 -4.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3759 4.9362 -4.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 5.9519 -5.7107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8647 4.6750 -4.4627 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0324 5.4296 -4.6510 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0989 4.5964 -5.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 3.4687 -4.5666 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 2.4364 -4.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 2.4476 -5.9224 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3323 1.2577 -3.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 1.6702 -2.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 0.5381 -1.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 -0.5395 -1.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0838 -1.7467 -1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8782 -1.6977 0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 -1.1389 1.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 -1.1143 2.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -0.6005 3.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 -0.5764 5.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0479 0.3711 5.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 0.0529 5.1505 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.0956 5.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4598 1.1500 5.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 1.3732 6.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5234 1.4203 6.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 2.5289 5.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 2.5413 5.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 2.2193 5.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 3.6329 5.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 1.7282 5.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 2.5858 5.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 5.8662 -3.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9217 4.8282 -2.4793 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5085 5.5691 -1.0547 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1862 4.4723 -0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 6.7442 -1.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 6.1890 -0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 7.5469 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 8.1410 0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 7.9069 -0.1576 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1856 -5.9974 -1.9846 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6863 -5.3101 -6.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 -7.0061 -6.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4374 -6.6281 -6.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 -5.1415 -4.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 -6.9872 -4.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6649 -5.3703 -5.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5545 -7.1289 -5.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 -4.9064 -3.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0202 -6.1536 -3.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3343 -6.6884 -1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7348 -7.9233 -2.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3203 -8.4206 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -7.6733 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9068 -7.6827 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6815 -9.0409 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 -6.3087 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6464 -4.9766 -2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 -5.1185 0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 -4.1662 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