HMDB0284890 RDKit 3D PE(DiMe(13,5)/PGJ2) 144145 0 0 0 0 0 0 0 0999 V2000 0.5862 9.7765 -4.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 8.4471 -4.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6062 7.8675 -3.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 7.6474 -2.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 7.0710 -1.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 5.8012 -1.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 5.6164 -1.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0628 4.3707 -1.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 3.8511 -1.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 3.0611 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1212 2.5421 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 1.7479 0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 2.5341 2.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5242 1.8311 3.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8063 0.5893 3.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 0.7208 3.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7846 -0.6390 4.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2966 -0.7527 4.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7644 0.1934 5.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3287 0.0865 5.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 0.2364 4.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 0.4183 3.4246 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 0.1701 4.8293 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9515 0.2739 3.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8393 -0.8880 2.8742 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8817 -0.7567 1.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1738 -0.8168 2.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2367 -0.6380 0.9916 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.6688 -0.6114 1.4622 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0761 -1.9296 -0.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8128 0.7996 0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7065 0.5869 -1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3204 1.8551 -1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2194 1.5844 -3.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 -2.1273 3.5715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 -3.0314 3.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8846 -2.6680 2.8622 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8247 -4.3172 4.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4366 -5.5036 3.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 -6.0957 2.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 -6.3952 2.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1705 -6.0220 1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2272 -5.2765 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -3.9926 -0.1076 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9527 -4.0941 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3998 -3.2031 -1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.4710 -1.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 -1.3199 -2.0842 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1491 -3.4411 -1.5264 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2258 -2.9823 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 -3.5409 -2.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4789 -3.1706 -2.7210 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6264 -1.8335 -3.1376 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1115 -4.0569 -3.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0848 -5.5182 -3.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8397 -5.8110 -2.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7644 -7.3062 -1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5321 -7.6478 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 3.6821 -2.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 2.2305 -2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 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