HMDB0061539 RDKit 3D PE(MonoMe(13,5)/MonoMe(11,3)) 141142 0 0 0 0 0 0 0 0999 V2000 -17.2120 1.1832 2.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6437 0.1059 3.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2351 0.4156 3.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3164 0.5584 2.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2442 -0.7092 1.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3016 -0.3831 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9653 -1.2591 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0872 -0.5942 -1.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4987 -1.1599 -2.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9161 0.6634 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0853 1.7878 -1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6617 1.6741 -0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9263 0.4540 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4872 0.6215 -0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5985 -0.5299 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5914 -0.6271 -2.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1089 0.6301 -3.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6996 1.0334 -3.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 0.0376 -3.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2885 0.3305 -3.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 0.4948 -1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9838 -0.7564 -1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4352 -0.5612 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2442 -0.5415 1.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 -0.4100 0.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5314 -0.2424 1.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0228 -0.0572 1.4728 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2191 1.2293 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 1.2587 -0.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 2.7048 -1.2912 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4453 3.0659 -2.0992 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8362 3.9728 -0.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0329 2.7877 -2.2933 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6449 2.5371 -3.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8308 2.6263 -4.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 2.3684 -5.9233 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 -1.1348 0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -2.0124 1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0673 -1.8297 2.1667 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 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