HMDB0299611 RDKit 3D DG(PGD2/0:0/i-18:0) 121121 0 0 0 0 0 0 0 0999 V2000 14.0683 -1.3037 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2172 -2.6873 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4992 -2.6978 -0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0524 -2.3667 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1760 -2.3317 -1.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7741 -1.9956 -1.4055 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8911 -1.9450 -2.4776 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7546 -0.6640 -0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 0.3882 -1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 1.7240 -0.5806 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5353 2.8062 -1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3683 2.6984 -2.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7793 4.0265 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7545 3.5964 -0.0919 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2963 3.8018 1.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6332 2.1221 -0.3290 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1685 1.3995 0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7852 1.8021 1.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7984 0.9713 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9048 -0.4656 1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 -0.8728 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6447 -0.5064 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 -1.1505 1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3527 -0.8592 2.2865 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9527 -2.0440 0.9571 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 -2.6950 1.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -1.9194 2.9032 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1797 -0.9302 3.5416 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 -1.4065 2.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 -0.3423 1.6806 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 -0.1437 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4241 -1.0792 -0.3445 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 1.2307 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6394 1.3157 -0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9834 0.2527 -1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3804 0.1014 -1.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4386 -0.2766 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7753 0.5711 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1673 1.9868 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3657 2.0565 -1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6078 1.4310 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0037 2.0967 0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1220 1.5555 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4676 1.4288 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7122 0.4791 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3197 -0.9278 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5873 -1.8556 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0791 -1.7562 -1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7427 -1.5123 -1.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1407 -1.2846 1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9872 -0.5668 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9265 -1.1612 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2742 -2.9947 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7196 -3.3980 1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9688 -1.9902 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5896 -3.7140 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0091 -1.3821 -0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6775 -3.1818 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5433 -1.6579 -2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1379 -3.3681 -2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 -2.7438 -0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1402 -2.5782 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 -0.5120 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6672 0.2541 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 1.7689 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 4.5586 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 4.7309 -0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8295 4.1568 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4827 4.7396 1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0094 1.8775 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3816 0.3505 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 1.7900 1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6321 2.9075 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 1.3876 1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9158 -0.8770 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5626 -1.0174 1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -1.9518 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5071 -0.2927 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 -0.8330 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 0.5772 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -3.4697 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 -3.2982 2.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 -2.6684 3.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 -0.0240 3.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 -1.1102 3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5645 -2.2730 2.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 1.3851 -1.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 2.0082 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7678 2.3084 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 1.2849 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5735 -0.7503 -1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 0.3985 -2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6536 1.0572 -2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3597 -0.6683 -2.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -0.5126 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1791 -1.3030 -0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0851 0.5964 1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7677 0.1262 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3626 2.5493 0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2784 2.4936 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2096 1.6154 -2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6022 3.1340 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5106 0.3421 -0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4012 1.6720 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0902 2.1606 1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2189 3.1848 0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2461 2.2171 2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8458 0.5178 2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8654 2.4707 0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2176 1.1619 1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8617 0.4771 -0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2924 0.7694 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0108 -1.2430 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2722 -0.9173 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3662 -2.9088 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2717 -1.0434 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6549 -1.4002 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5036 -2.7787 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6272 -2.3610 -2.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1520 -0.6591 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7230 -1.2434 -1.6195 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 27 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 16 10 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 1 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 1 13 66 1 0 13 67 1 0 14 68 1 1 15 69 1 0 16 70 1 6 17 71 1 0 17 72 1 0 18 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 26 81 1 0 26 82 1 0 27 83 1 1 28 84 1 0 29 85 1 0 29 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 M END