HMDB0265477 RDKit 3D PA(21:0/PGF2alpha) 137137 0 0 0 0 0 0 0 0999 V2000 14.1994 3.4275 1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2288 3.3951 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8595 2.1144 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0718 0.9978 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0409 0.4748 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2754 -0.7048 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5270 -0.3269 -1.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5088 0.7612 -1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4926 0.3561 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 -0.8305 -0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7077 -1.1116 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7465 -2.2353 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7930 -1.9988 -1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0109 -0.7221 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 -0.7249 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1812 -1.7844 0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4413 -1.6920 1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 -0.7017 2.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 0.7454 1.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 1.2402 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 1.0383 0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 2.0849 0.3187 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -0.1399 -0.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1134 -0.2366 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 0.1705 0.8499 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7652 -0.8456 1.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -2.0807 1.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9477 -3.3036 2.6442 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8755 -4.6667 1.9684 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1794 -3.2890 3.7793 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -3.0608 3.3722 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3636 0.1029 0.5608 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1274 1.2761 0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 2.3231 1.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5907 1.3298 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9634 1.4630 -1.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5551 0.3828 -1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1214 -0.9506 -1.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0108 -1.3732 -0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5125 -2.7988 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0318 -2.6634 -1.0278 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7081 -4.0019 -1.0122 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9666 -5.0054 -0.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9786 -3.8263 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5758 -2.8633 0.8477 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9726 -3.5806 1.8684 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6018 -1.9257 0.1648 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3344 -0.6863 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0084 0.5075 0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7716 1.7695 -0.1531 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.2275 2.2616 1.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8731 2.7340 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4859 4.0022 -1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5537 4.0783 -2.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8549 3.4121 -2.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5782 3.8388 -0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3073 4.4229 1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3360 2.6844 2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1491 3.4826 0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0585 4.1049 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7957 3.8685 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7903 2.3065 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3692 1.7489 0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 1.1760 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8045 0.1373 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5380 0.0780 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3002 1.2245 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6455 -1.1167 0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0382 -1.4582 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2232 -0.0464 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9727 -1.2248 -2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9528 1.7039 -1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9827 0.9612 -2.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0112 0.1625 0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8410 1.2378 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1883 -1.6963 -1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9774 -0.4903 -1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 -0.1694 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2964 -1.3893 1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3706 -3.1202 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2572 -2.5034 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0736 -2.8341 -1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3193 -2.0092 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4086 -0.5522 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7337 0.1284 -0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 0.2634 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 -0.9750 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6057 -2.8146 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 -1.6718 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2422 -1.6742 2.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0175 -2.7484 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3961 -1.0161 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 -0.8179 3.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5204 1.1403 2.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7622 1.2729 2.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5533 2.3220 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 0.7706 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 -1.2936 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 0.4106 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7122 1.1917 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5484 -0.5802 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 -0.7662 2.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 -2.6572 3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 -3.7063 3.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9113 2.3373 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1267 0.5773 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4213 2.4010 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 1.7593 -1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4386 0.2771 -1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6917 0.7560 -3.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7658 -1.7557 -2.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4320 -0.6735 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2841 -3.2673 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0809 -3.3542 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2666 -2.1613 -1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9627 -4.3538 -2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5797 -4.8003 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2857 -4.7881 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8321 -3.4730 -0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4370 -2.3166 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3451 -3.2974 2.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7685 -1.6979 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1907 -0.7944 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1578 0.6445 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6320 1.5197 -0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7597 1.5879 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9389 2.8883 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4202 2.2522 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7515 4.5956 -0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6300 4.6678 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8028 5.1716 -2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1722 3.7037 -3.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5237 3.8591 -2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9166 2.3533 -2.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0326 4.7078 -0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6010 2.9947 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6264 4.0543 -1.0105 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 47 41 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 24 98 1 0 24 99 1 0 25100 1 1 26101 1 0 26102 1 0 30103 1 0 31104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 6 42116 1 6 43117 1 0 44118 1 0 44119 1 0 45120 1 1 46121 1 0 47122 1 1 48123 1 0 49124 1 0 50125 1 6 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 56137 1 0 M END