HMDB0298569 RDKit 3D DG(i-13:0/PGD2/0:0) 106106 0 0 0 0 0 0 0 0999 V2000 14.7795 0.1145 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3800 -0.6747 -0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9300 -0.9027 -1.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0149 0.2317 -1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7870 1.1196 -0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1012 0.5074 0.9883 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7103 -0.5679 1.5727 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6644 0.1847 0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9013 0.6128 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4473 0.2074 -0.3147 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0819 -0.5059 0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0381 -1.6862 1.1185 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 0.5660 1.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8827 1.8838 1.2008 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8173 2.6950 1.5578 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6442 1.4860 -0.2567 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1599 1.2339 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7687 0.5900 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1818 -0.5782 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.3468 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4221 -1.6542 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 -0.4579 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1379 -0.8742 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -2.1050 0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9266 -0.0226 0.4186 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2253 -0.5220 0.6842 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5608 -0.2882 2.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5339 1.0687 2.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3283 0.0231 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5216 -0.6497 0.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -2.0060 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8217 -2.6962 -0.4898 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9183 -2.6647 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1095 -2.4044 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3803 -0.9366 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6304 -0.5929 -1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7806 0.8987 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9934 1.4027 -1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2243 0.7844 -1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4502 1.3007 -1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7356 0.7781 -1.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0913 1.0201 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4929 0.3788 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2202 0.3421 1.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1791 0.0508 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8451 -0.2151 0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9136 1.1836 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7921 -0.1859 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8568 -1.7254 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7623 -1.6224 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6112 -1.5701 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0151 -0.0969 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4086 0.8844 -2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7007 1.6066 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0982 1.9780 -0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1159 1.3255 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1126 -1.3665 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1748 -0.4945 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2922 1.2802 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3089 -0.4014 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4704 0.5330 2.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7604 0.4403 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8494 2.3878 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 3.6457 1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0373 2.2634 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7216 2.2962 -0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7285 0.8571 0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0021 1.1581 -2.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9089 -1.0148 -2.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4005 -2.3586 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2779 -0.9985 0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 -2.3179 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0403 -2.2232 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 0.2069 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 0.1871 0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 -1.6140 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5533 -0.7561 2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8204 -0.8265 2.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 1.6238 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 -0.3191 -1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5258 1.0893 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7311 -3.7698 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1734 -2.3172 1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9332 -2.7902 -1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9726 -2.9865 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -0.4394 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5094 -0.4829 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4819 -0.9600 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4754 -1.1244 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8935 1.3988 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8283 1.2754 0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0468 2.4942 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9418 1.1013 -2.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2167 -0.3144 -1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1283 1.0944 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4251 2.4203 -1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3468 1.0054 -2.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5720 1.2428 -1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8182 -0.3274 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1665 2.0944 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2030 0.8907 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7347 0.5596 1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4695 -0.6866 0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9014 -0.1080 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5909 1.0498 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6729 -0.5050 0.7649 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 42 43 1 0 42 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 1 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 1 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 41 99 1 0 42100 1 0 43101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 44106 1 0 M END