HMDB0284685 RDKit 3D PE(LTE4/DiMe(11,3)) 145145 0 0 0 0 0 0 0 0999 V2000 7.0838 -0.3681 -6.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.1860 -5.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 0.7115 -3.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4677 -0.1832 -2.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0798 -0.7559 -3.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0802 0.3244 -3.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0545 0.4969 -2.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -0.4061 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8289 0.3093 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 0.4583 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 -0.1001 0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 0.0667 1.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 -0.4714 1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7252 -0.2574 2.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0925 -0.6807 2.2431 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4908 -1.9671 1.0723 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2351 -2.4686 1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6599 -3.2476 0.0508 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0799 -3.6441 0.1523 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8766 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