HMDB0284885 RDKit 3D PE(PGD2/DiMe(13,5)) 147148 0 0 0 0 0 0 0 0999 V2000 18.6976 -0.7846 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3709 -1.3424 0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2432 -0.8936 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1387 0.6204 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9963 0.9841 -0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7533 0.3828 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1117 -0.6741 -0.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0366 -0.8922 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1549 -2.0462 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9311 -1.8056 -0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9057 -0.8754 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 -1.2868 0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2256 -0.2846 1.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5880 -0.6485 2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -1.9616 2.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8097 -2.1658 1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 -1.1445 1.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -1.0828 3.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 0.0102 3.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 -0.3078 2.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1425 0.7253 1.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2134 1.7506 2.5602 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 0.5518 0.8851 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 1.3560 0.5428 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5353 0.7394 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -0.4416 -0.2379 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7801 -1.1044 -0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7836 -0.5692 0.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -2.3360 -1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3028 -2.6176 -1.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6584 -1.4285 -2.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0031 -1.5614 -3.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9929 -0.6921 -3.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8795 0.5707 -2.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9333 0.5870 -1.1583 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7043 1.8860 -0.3991 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3272 2.0698 -0.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2577 2.9224 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2993 2.2243 -2.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0872 2.7254 -2.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2510 0.7515 -1.8428 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.4427 0.4399 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4738 0.0264 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8357 -0.2473 0.8301 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.6681 -1.5411 1.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0154 0.7789 1.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2441 0.8001 2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5508 1.0678 2.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1081 0.2004 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2667 -1.2444 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 1.7843 -0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7496 2.4963 -1.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4709 2.9709 -2.6158 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4867 4.0480 -2.9333 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0651 3.6270 -2.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 1.6877 -3.6782 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 1.2143 -4.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 0.0350 -5.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 -1.0342 -4.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9964 0.1052 1.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0284 0.3433 2.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0900 0.9241 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4557 2.1342 1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3944 -1.6112 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6175 -0.1934 -0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1502 -0.0845 1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1462 -1.1798 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4223 -2.4569 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3053 -1.2967 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3561 -1.3079 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8458 0.9829 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0652 1.1170 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1822 0.6318 -1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9112 2.0916 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8716 -2.4261 0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7677 -2.9072 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4029 -2.8090 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1890 -1.5314 -1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0692 -0.8609 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 0.1555 -0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 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