HMDB0284847 RDKit 3D PE(PGE1/DiMe(11,5)) 143144 0 0 0 0 0 0 0 0999 V2000 7.3091 -4.9933 -3.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9361 -3.6353 -2.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8498 -2.7379 -2.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4313 -3.3340 -0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3551 -2.5160 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 -3.1940 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3727 -2.8418 2.2386 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8872 -3.6889 3.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 -3.6375 4.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 -3.1516 5.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -1.7684 4.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1151 -1.4573 5.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -0.0939 5.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 0.2107 3.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 -0.6338 3.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -0.5620 4.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1715 -1.4046 3.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4656 -1.0098 1.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 -1.7892 1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2051 -2.8224 0.6647 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8281 -1.4026 1.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8662 -2.1144 0.6847 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5004 -1.2447 -0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0978 -0.0893 0.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6111 0.8462 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5317 0.6646 -1.8966 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2577 2.0810 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 3.1919 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6439 3.4458 -1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3939 4.4875 -2.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9058 4.7534 -2.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2456 5.2680 -1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 5.4863 -1.5397 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2167 6.0207 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 7.1571 -0.0635 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 4.8994 0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 3.6654 -0.1668 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2310 2.7784 0.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 4.1345 -1.5644 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6684 4.4334 -2.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 4.2365 -1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 4.6082 -2.0908 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7649 4.2697 -1.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 3.8062 -3.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 4.1531 -3.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 3.9787 -3.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7544 4.3441 -4.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 4.1618 -3.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8635 -2.6976 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2556 -3.6022 2.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3231 -4.2915 3.6021 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.7523 -3.8751 3.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 -3.7995 5.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2740 -5.9968 3.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0225 -6.4152 3.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0364 -7.9212 2.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7476 -8.4317 2.5065 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 -4.6501 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -5.8207 2.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2591 -4.3468 1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6339 -5.1259 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6476 -5.6476 -2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1907 -4.9517 -3.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 -5.4486 -4.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8203 -3.6384 -2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2395 -3.2445 -3.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 -2.6178 -2.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3509 -1.7681 -2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3015 -3.3898 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -4.3698 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4421 -2.5277 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7634 -1.5175 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9471 -3.0541 4.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2326 -4.6769 4.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9677 -3.8630 5.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -3.1472 6.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 -1.6404 3.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1534 -1.0360 5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4332 -1.4699 6.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -2.2570 5.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 0.6401 5.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7758 0.1072 6.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1247 0.2454 3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8533 1.2705 3.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -1.6762 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0303 -0.1794 2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 0.5041 3.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 -0.8207 5.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9515 -2.4712 3.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 -1.2302 3.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 0.0668 1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 -1.0518 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3736 -2.9628 0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2488 -1.8525 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7712 -0.9023 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3409 1.9593 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7881 2.4280 0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4955 2.7309 -2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6972 4.0605 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3211 3.8517 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1697 2.4760 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8341 4.1922 -3.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8573 5.4423 -2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4596 3.7781 -2.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 5.4373 -3.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5037 4.6425 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6797 6.2934 -1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 6.0804 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5484 4.9667 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3406 4.8865 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 3.1215 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 1.9451 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 3.4225 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 4.8807 -3.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4543 3.8135 -0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 5.6685 -2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 3.4435 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1773 4.0427 -4.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9839 2.7057 -3.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 5.2127 -4.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 3.5487 -4.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7184 2.9469 -2.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 4.7397 -2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 3.6376 -4.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 5.3825 -4.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8098 4.8343 -3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 4.2690 -2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4238 3.1121 -3.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2651 -1.8736 2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7116 -3.1533 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9855 -2.8082 5.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7883 -5.9716 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2841 -6.0487 3.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -8.3190 3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7971 -8.2376 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4368 -7.8521 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8158 -9.4389 2.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -6.2359 3.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3571 -6.6006 2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 -5.5582 3.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1471 -6.0770 -0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -5.3735 0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.4623 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 22 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 8 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 6 2 0 39 33 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 22 93 1 6 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 6 36109 1 0 36110 1 0 37111 1 1 38112 1 0 39113 1 6 40114 1 0 41115 1 0 42116 1 6 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 53131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 59138 1 0 59139 1 0 59140 1 0 61141 1 0 61142 1 0 61143 1 0 M END