HMDB0284787 RDKit 3D PE(PGJ2/DiMe(11,5)) 138139 0 0 0 0 0 0 0 0999 V2000 14.1123 2.4836 -1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4163 1.2269 -1.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1448 0.0363 -1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4397 -1.2429 -1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1545 -2.4067 -0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7275 -2.4015 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2025 -2.0775 0.7125 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9088 -2.1920 0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9025 -1.9369 1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2040 -0.5997 1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1553 -0.3506 2.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 0.9606 2.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 1.0669 1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0982 2.3936 0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0108 2.6781 1.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 1.6677 1.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8285 2.0007 2.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6692 1.0277 2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9703 1.0424 1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 1.7975 0.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 0.1153 1.3577 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 0.0175 0.2044 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2794 0.1404 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6986 1.3417 0.8411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 2.0028 2.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 1.4263 2.8906 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 3.3444 2.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2769 3.2483 3.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3291 2.2568 2.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9495 2.5296 1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2338 2.7157 1.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1750 2.6708 2.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2026 1.5801 2.3899 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1563 1.5678 3.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3795 1.8519 3.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3570 2.0812 1.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2820 2.6052 1.0142 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0345 1.5761 1.1492 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.2724 0.1690 0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4840 -0.3693 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5780 -1.8035 0.1588 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4616 -2.4258 0.7706 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8525 -2.3885 0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0428 -1.6680 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0372 -1.8145 -1.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2810 -1.0834 -1.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4036 -1.1552 -3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 -1.2367 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -1.1749 -1.7557 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0925 -2.4482 -2.8349 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3639 -2.7270 -3.1459 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7373 -3.8931 -2.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9371 -2.1222 -4.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -1.2101 -5.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9435 -0.8571 -6.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2436 -0.2559 -5.9550 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5359 -2.6408 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1633 -2.9279 -1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6784 -2.7680 -1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8295 -3.2158 -2.6917 C 0 0 0 0 0 0 0 0 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