HMDB0061488 RDKit 3D PE(DiMe(11,5)/MonoMe(9,5)) 138139 0 0 0 0 0 0 0 0999 V2000 -15.1067 7.4411 -1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8015 5.9607 -1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5403 5.5099 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2318 4.0524 0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0043 3.6429 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8610 2.1681 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4571 1.2206 -0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1245 -0.0316 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5326 -1.3490 -1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3277 0.2167 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7132 -0.7918 1.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5178 -1.4479 0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4185 -0.4691 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2709 -1.2341 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1052 -0.3585 -0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5187 0.3666 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 1.2456 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1847 0.5904 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5463 -0.4425 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 -0.7390 1.7422 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4044 -1.1187 0.2282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8174 -2.0807 1.0511 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4554 -1.5907 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 -1.3133 0.4482 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 -0.8237 0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0415 -0.6452 1.8178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -0.5265 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 -0.0266 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 -0.9689 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1143 -2.2334 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7766 -2.2669 -1.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1277 -1.7125 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 -0.2578 -1.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6921 0.2303 -1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6409 1.7142 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9302 2.4314 -1.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0253 1.9760 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0136 1.2160 -1.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8186 0.9839 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0528 0.1547 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2933 1.0513 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2542 1.9818 -1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4490 2.8760 -1.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6411 3.7732 -0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 1.6092 0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9606 1.6167 2.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1848 2.2654 0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3043 3.0916 1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6485 -3.4350 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8218 -4.0325 0.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5749 -5.5728 -0.5817 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7955 -5.8768 -1.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1782 -5.6514 -1.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 -6.7525 0.6301 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4079 -7.5882 0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4313 -8.6265 1.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3714 -7.9679 2.8816 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2047 1.5293 0.7829 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1651 8.0485 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7354 7.7327 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