HMDB0284952 RDKit 3D PE(DiMe(13,5)/PGD1) 149150 0 0 0 0 0 0 0 0999 V2000 15.0897 -0.5612 2.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0479 0.5229 2.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9663 1.4704 1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9918 2.5698 1.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5483 2.2692 1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9605 1.6288 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3278 2.2865 -0.4655 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9082 1.5087 -1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1718 1.8871 -2.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 1.5980 -2.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7973 2.2254 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8952 1.9482 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7059 0.4616 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7908 0.2478 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -1.1464 1.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 -1.9912 1.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0344 -2.2533 0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 -3.2926 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 -3.5170 -0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 -4.4834 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0707 -4.0627 -0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -4.7379 -0.8465 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0193 -2.9859 0.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2627 -2.6401 0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0902 -2.1469 -0.3119 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5776 -0.7456 -0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 0.0182 0.4069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 1.5810 0.0757 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0800 1.8236 -1.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 1.7474 0.8295 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 2.7698 0.7222 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1522 2.6430 2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 3.7008 2.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1363 3.6090 4.1307 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 -1.8623 0.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4869 -2.4613 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1369 -3.2026 -1.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9217 -2.2892 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -1.2987 -1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8899 0.0598 -1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1054 0.6751 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5954 0.7485 0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3141 1.5965 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8141 1.5989 -0.1732 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4552 2.5230 -1.2113 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5070 3.4822 -1.6369 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8032 1.6475 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4919 0.2620 -2.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3536 -0.6810 -2.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3777 0.2323 -0.5239 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.7567 0.1301 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1062 -0.8087 0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4426 -0.9868 1.4678 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7719 -0.1286 2.4849 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5251 -0.8928 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2099 -1.9675 -0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0962 -2.1677 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2720 -1.0352 -2.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8947 0.2047 -2.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2920 0.2293 -1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 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