HMDB0296907 RDKit 3D DG(2:0/PGD2/0:0) 73 73 0 0 0 0 0 0 0 0999 V2000 9.4634 1.7278 1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3767 2.2088 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 1.8830 0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7702 0.4317 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -0.4347 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9263 -0.1121 -1.1399 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0644 1.1573 -1.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 -0.3059 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 0.4284 -1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 0.3424 -1.0020 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4406 -0.1568 -2.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 0.4985 -3.1297 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 -1.6253 -2.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -1.9986 -0.7552 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5483 -2.8040 -0.5349 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6974 -0.7217 -0.0028 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4111 -0.3646 0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -0.2033 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8779 -0.8712 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 -1.8891 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -1.6818 2.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5242 -1.4607 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 -0.1999 0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0026 0.7592 0.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0263 -0.1424 0.2292 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3011 1.0638 -0.4595 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4979 0.7162 -1.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3233 0.1314 -2.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5856 1.6204 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5863 0.6619 -0.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8816 0.9042 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9796 -0.0788 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1106 1.9901 0.9735 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9701 0.8245 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2582 2.4957 1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0530 1.5685 2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4736 3.3144 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5506 1.8476 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 2.4449 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 2.3109 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4285 0.0903 1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 0.3018 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 -1.4850 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8823 -0.5215 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0876 -0.8126 -2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8617 1.1409 -2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -1.0726 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8325 1.1988 -1.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7252 1.3479 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 -1.9047 -2.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 -2.0971 -2.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5385 -2.6647 -0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7557 -3.6611 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5159 -0.7706 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6162 0.6689 1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 -1.0157 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7233 0.5457 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 -0.6826 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1191 -2.2670 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 -2.8385 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 -0.7870 2.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1696 -2.5966 2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -1.4085 2.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9327 -2.3366 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4912 1.8084 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7565 1.6544 -2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3057 -0.0255 -2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8819 0.6694 -3.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4075 1.6944 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8112 2.5986 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6129 0.1653 -0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5538 -1.0932 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6236 -0.1244 1.1232 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 1 0 31 33 2 0 16 10 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 6 7 46 1 0 8 47 1 0 9 48 1 0 10 49 1 1 13 50 1 0 13 51 1 0 14 52 1 6 15 53 1 0 16 54 1 1 17 55 1 0 17 56 1 0 18 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 26 65 1 6 27 66 1 0 27 67 1 0 28 68 1 0 29 69 1 0 29 70 1 0 32 71 1 0 32 72 1 0 32 73 1 0 M END