HMDB0061477 RDKit 3D PE(DiMe(11,3)/MonoMe(11,5)) 138139 0 0 0 0 0 0 0 0999 V2000 15.9398 -2.0517 3.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2998 -0.5848 3.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3642 0.3117 2.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9536 0.0384 2.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0037 0.9005 2.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6161 0.6797 2.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2584 -0.1430 3.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8639 -0.0451 3.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0281 -0.7726 4.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 0.8178 2.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0493 1.2175 2.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 0.1890 1.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6511 -0.3513 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8506 0.5916 -0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7276 1.4075 -0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5112 0.6339 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8587 -0.2865 -2.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 -1.0423 -3.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 -2.0004 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -1.6226 -1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 -0.6516 -1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 0.5802 -1.8253 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 -1.0542 -1.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 -0.0241 -2.2142 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1819 -0.0137 -1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2034 0.8847 -1.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 1.0484 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5256 0.1970 -2.7676 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 2.2156 -1.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4626 2.4926 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3183 1.7723 0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2415 0.3525 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7558 -0.6084 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1679 -0.8997 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2385 0.0827 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6609 0.6855 0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7323 1.6926 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0336 1.2321 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6804 0.2627 1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4937 0.6689 2.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9343 -0.3270 2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8570 -0.2317 3.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1482 -0.4010 5.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1871 -0.2885 6.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3967 -1.4817 2.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5811 -2.8847 2.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5902 -1.0817 1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8646 -2.0694 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7473 -0.3684 -3.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3721 -0.5396 -4.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1772 -0.9582 -5.9734 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5899 -1.4871 -5.8121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -2.2016 -6.6051 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 0.3878 -6.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 0.5645 -7.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3674 1.7772 -8.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 1.5309 -9.4948 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5324 1.2145 2.1785 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8688 -2.6064 2.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4872 -2.5321 3.9397 H 0 0 0 0 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44121 1 0 44122 1 0 44123 1 0 46124 1 0 46125 1 0 46126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 53132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 M END