HMDB0061537 RDKit 3D PE(MonoMe(13,5)/DiMe(9,3)) 138139 0 0 0 0 0 0 0 0999 V2000 13.6291 3.1632 0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5338 2.2898 1.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1066 1.1959 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0511 0.3321 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2345 -0.3241 1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1926 -1.1942 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9889 -1.4052 -0.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9269 -2.2729 -1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3305 -2.8047 -2.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5186 -2.5611 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3717 -3.4815 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1237 -2.6227 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2256 -1.4345 1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0268 -0.4962 0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0099 -0.0107 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9415 0.8834 -0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7579 2.2213 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 2.3302 1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 1.5346 1.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7685 1.6078 2.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5507 0.9222 3.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2419 1.3212 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 1.0124 1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 0.0763 0.8009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1025 1.7641 0.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 1.4447 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 0.0571 -0.8676 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0599 -0.2555 -2.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 0.7460 -2.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3341 0.5109 -4.3879 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2761 1.6210 -4.8589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 0.5597 -5.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1288 -0.9503 -4.6557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5067 -0.8168 -4.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2409 -2.0961 -4.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8639 -3.1691 -3.8559 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 0.1313 -0.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2724 -0.6792 0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 -1.5591 1.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 -0.5284 1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3499 0.5756 0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6874 0.8591 1.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5489 -0.4099 1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9088 -0.0888 1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7883 -1.2841 1.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9980 -1.7487 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6216 -0.7012 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9683 -0.2818 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2809 0.8046 0.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5782 0.8428 1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2358 1.9668 1.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9883 2.9141 0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1067 2.3253 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1512 -0.3205 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5608 -0.7621 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1193 -1.0293 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2373 -2.3460 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2986 -1.8998 1.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8880 3.1464 -0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6505 4.2157 1.0220 H 0 0 0 0 0 0 0 0 0 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