HMDB0297323 RDKit 3D DG(a-13:0/PGD2/0:0) 106106 0 0 0 0 0 0 0 0999 V2000 10.4086 2.6765 0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7162 2.2421 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7923 0.7244 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6355 0.1218 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7388 -1.3854 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6172 -2.0288 -1.0618 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7568 -1.5992 -2.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2781 -1.6193 -0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0626 -1.3280 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7115 -0.9170 1.0853 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3303 -1.7763 2.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -2.8611 2.1376 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7184 -1.0840 3.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2728 0.2345 3.0669 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0010 1.2796 3.9319 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7683 0.4682 1.6809 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4046 1.1387 1.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9564 1.2448 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8821 0.7298 -0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 -0.0749 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -1.4896 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3028 -1.5362 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9608 -0.9237 -1.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 0.3194 -1.7164 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -1.7302 -1.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4775 -1.2294 -1.7910 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0601 -1.8687 -3.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -3.2376 -2.9339 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2102 -1.5679 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5444 -1.1645 -0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 0.1496 -0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 1.0346 -0.7764 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 0.4988 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8715 0.5277 -1.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2529 0.8613 -2.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3874 0.0549 -1.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6945 -0.1282 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9420 1.1110 0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0698 1.9171 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3770 1.1840 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7713 0.7409 1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9118 1.9320 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1468 0.0943 1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6693 -0.3949 2.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 2.9883 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9122 1.8663 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5656 3.5125 1.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5840 2.6669 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8233 2.5024 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7464 0.3863 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7775 0.3546 1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6994 0.3998 -1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6781 0.4564 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7854 -1.6852 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6861 -1.7301 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6842 -3.1197 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -1.0622 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 -1.5575 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8582 -1.3870 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 -0.9926 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8642 -0.9071 4.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4665 -1.6979 4.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3931 0.1191 2.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 1.1566 4.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4915 1.0596 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 2.2033 1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7152 0.7355 2.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 1.8349 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 0.8923 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1234 -0.0559 1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9131 0.3751 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 -1.9762 0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7288 -2.0714 0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 -2.6084 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0296 -1.1078 -2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3948 -0.1363 -1.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0881 -1.4390 -3.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4775 -1.4828 -3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 -3.4798 -2.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 -1.0825 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1289 -2.6792 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8466 -0.2369 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4684 1.4918 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5357 -0.4306 -2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2109 1.3015 -2.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2847 0.8487 -3.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3849 1.9683 -2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3535 0.3785 -2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2578 -0.9898 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6795 -0.7164 -0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0168 -0.7908 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1998 0.7676 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0117 1.7151 0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8835 2.1669 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1505 2.9261 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2969 0.2848 -0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1967 1.7902 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0719 -0.0118 1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5523 1.6229 2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9652 2.2878 2.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3955 2.7339 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8067 0.8008 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9751 -0.8052 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2391 -1.3318 2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8224 -0.6734 3.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3726 0.3096 2.8481 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 2 0 11 13 1 0 13 14 1 0 14 15 1 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 41 43 1 0 43 44 1 0 16 10 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 6 7 57 1 0 8 58 1 0 9 59 1 0 10 60 1 6 13 61 1 0 13 62 1 0 14 63 1 6 15 64 1 0 16 65 1 6 17 66 1 0 17 67 1 0 18 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 21 72 1 0 21 73 1 0 22 74 1 0 22 75 1 0 26 76 1 6 27 77 1 0 27 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 44106 1 0 M END