HMDB0275121 RDKit 3D PGP(i-15:0/PGE2) 133133 0 0 0 0 0 0 0 0999 V2000 3.4724 -6.7817 -1.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4452 -7.8820 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -7.2504 -1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 -8.2969 -0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3758 -7.7020 -0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 -6.7780 0.3825 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2829 -7.4134 1.5766 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8438 -6.0848 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2889 -5.3644 1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -4.6770 1.3498 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5069 -4.9961 2.4890 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0806 -6.2597 2.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5618 -3.8892 2.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8464 -2.7524 1.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3705 -1.7073 1.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4312 -3.1651 1.5154 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7904 -2.6273 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -1.1843 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4153 -0.5745 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 -1.2551 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 -0.9271 1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7549 -1.3192 2.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -0.9879 3.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -1.8405 4.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 0.3372 3.9441 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2097 0.7896 4.9354 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5654 1.8175 5.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1498 2.8897 5.0304 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 4.0508 5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 4.2308 6.6458 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 5.0580 4.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 4.2520 3.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 5.0243 1.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5285 5.9674 1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 5.2648 0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 4.2068 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 4.7209 -1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 5.7534 -2.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 5.1624 -2.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8532 6.1830 -3.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 6.6397 -4.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 5.5144 -5.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 6.1270 -6.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1675 4.9668 -5.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 1.5712 4.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0034 0.7220 3.3344 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 1.5053 2.5326 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7896 2.8633 2.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5503 1.7450 3.5852 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 0.5160 1.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 -0.7132 1.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 -1.5606 0.1412 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9662 -2.7897 0.0948 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4531 -0.7940 -1.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 -0.5578 -1.4358 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9859 0.2943 -2.8791 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5984 0.8318 -3.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 -0.6610 -4.1901 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1098 1.5818 -2.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0037 -5.7961 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -7.0171 -2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0813 -6.6435 -0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5211 -8.5228 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 -8.4975 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 -6.6122 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 -6.6506 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1773 -8.9485 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -8.9104 -1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0993 -8.5576 -0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6103 -7.1943 -1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7669 -5.9697 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9337 -6.7706 2.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 -6.1893 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 -5.2852 2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1431 -4.8399 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0287 -4.8371 3.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6665 -6.2271 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3645 -4.3147 1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9063 -3.5507 3.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8798 -2.8915 2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4247 -2.9492 -0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8358 -3.1679 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4749 -0.5587 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3954 0.5181 0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1277 -2.3282 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6371 -0.8407 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0098 0.1642 1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8009 -1.4279 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9938 -2.3927 2.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 -0.7503 2.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 -0.0118 5.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 2.1696 6.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2424 1.3910 6.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7281 5.6176 4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 5.7050 4.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 3.6067 3.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2976 3.5545 2.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 4.3476 1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4484 5.6305 2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9564 6.4270 0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 6.7680 2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 6.0588 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3477 4.9007 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5111 3.7602 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 3.4075 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2914 3.8183 -1.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1404 5.1064 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 6.0994 -2.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 6.6509 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8804 4.2713 -3.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 4.8877 -1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 5.6713 -3.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 7.0768 -2.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 7.1669 -4.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 7.3321 -4.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2762 4.6893 -4.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 6.8263 -6.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8492 6.6560 -7.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 5.3351 -7.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7999 5.8281 -6.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9619 4.2825 -6.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 4.3940 -5.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9261 2.4182 3.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 1.9642 4.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 0.9361 3.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -0.5188 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 -1.2227 2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6757 -1.7556 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 -2.6866 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9584 0.1842 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9218 -1.3619 -1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8052 -1.4324 -4.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9962 1.1687 -3.0555 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 26 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 16 10 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 6 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 6 11 76 1 1 12 77 1 0 13 78 1 0 13 79 1 0 16 80 1 1 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 43117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 49125 1 0 51126 1 0 51127 1 0 52128 1 1 53129 1 0 54130 1 0 54131 1 0 58132 1 0 59133 1 0 M END