HMDB0061621 RDKit 3D PS(MonoMe(13,5)/MonoMe(11,5)) 150151 0 0 0 0 0 0 0 0999 V2000 1.1970 -6.5902 4.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -7.3876 4.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2672 -6.5066 4.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5663 -5.6734 3.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8206 -4.8259 3.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0914 -3.9721 2.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8371 -4.2756 1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7901 -3.1589 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4818 -3.0311 -0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 -2.2329 1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 -0.8799 0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7542 0.1107 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 1.4475 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 2.0274 1.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0723 2.3037 2.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1415 3.3194 2.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5409 4.6657 1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5814 5.6935 1.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2871 5.3281 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2665 5.3245 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8337 4.9764 -2.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 5.0525 -3.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 4.0941 -2.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8727 2.8785 -2.7564 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 4.5617 -2.5282 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2514 3.7341 -2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 2.6949 -3.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 3.3379 -4.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7315 2.3858 -5.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 3.0437 -6.9336 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2839 2.2446 -7.4815 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5844 4.6499 -6.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1568 2.8333 -8.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0534 1.5364 -8.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1721 1.2671 -9.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -0.0740 -10.0681 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4425 1.4789 -8.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7175 2.5824 -8.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 0.4069 -8.7298 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1858 1.8713 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