HMDB0298985 RDKit 3D DG(i-15:0/PGD2/0:0) 112112 0 0 0 0 0 0 0 0999 V2000 12.6779 0.5472 3.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7511 1.5157 2.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4027 1.6079 3.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 0.2740 3.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4861 -0.1626 2.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 -1.4924 1.8897 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4594 -2.5115 2.5354 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6743 -1.7448 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5601 -2.0923 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4845 -2.3378 -1.6527 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8703 -3.6173 -2.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -4.6659 -1.4819 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -3.3839 -3.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4679 -1.8715 -3.6866 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6844 -1.7145 -4.3626 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4944 -1.3578 -2.2884 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0691 0.0282 -2.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 1.0793 -2.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7222 2.0453 -1.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8954 2.2040 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4863 2.1417 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 0.8255 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5113 0.6079 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3947 0.0103 1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 1.0342 -0.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0889 0.8057 0.1661 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5777 2.1762 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1729 2.8921 1.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 0.0936 -0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0668 -0.1595 -0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9816 -0.7405 -1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5884 -1.0164 -2.4364 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3873 -1.0506 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3562 -0.5170 -1.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -0.8567 -1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7305 -0.2730 -2.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6643 1.1889 -2.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9303 2.0662 -1.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1531 2.2326 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8302 1.2992 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3067 -0.0296 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0915 -0.7684 0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3224 -0.0541 1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9807 -0.9463 2.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3273 -2.2903 1.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2514 -0.2959 2.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3506 0.1745 4.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7086 0.9465 3.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8283 -0.3608 2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6531 1.3815 1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2142 2.5368 2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7794 2.3029 2.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4838 2.0597 4.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1773 -0.4747 4.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6803 0.4552 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 0.5967 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4316 -0.2373 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7722 -1.3723 2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3543 -2.3919 3.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5782 -1.6370 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6644 -2.1918 0.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4559 -2.2059 -2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2976 -3.7127 -3.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 -3.9593 -4.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6196 -1.4867 -4.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 -0.7621 -4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -1.4741 -1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2197 0.1767 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 0.0430 -2.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0091 1.1055 -3.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0909 2.8329 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 3.2774 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 1.5969 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 2.9868 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 2.2356 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 0.7648 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 0.0024 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 0.2475 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5952 2.0588 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6323 2.7441 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2498 2.9492 2.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 -0.8303 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 0.7630 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5919 -0.5445 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4764 -2.1392 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1056 -0.9427 -2.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2385 0.6022 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9202 -1.9513 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0290 -0.5042 -0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2828 -0.6776 -3.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7025 -0.7012 -2.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6455 1.5086 -3.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3420 1.4807 -3.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0357 1.8848 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6204 3.1340 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9427 2.6486 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0589 3.2280 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7168 1.8338 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1299 1.1593 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8997 -0.0477 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4143 -0.7444 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4052 -0.8689 1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3791 -1.7426 0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1188 0.9519 1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9980 0.0930 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3063 -1.0788 3.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3143 -2.6423 2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3346 -2.2870 0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5934 -3.0497 2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6264 0.4231 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9861 -1.1147 2.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0462 0.2217 3.7398 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 43 44 1 0 44 45 1 0 44 46 1 0 16 10 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 1 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 6 13 63 1 0 13 64 1 0 14 65 1 6 15 66 1 0 16 67 1 1 17 68 1 0 17 69 1 0 18 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 22 76 1 0 22 77 1 0 26 78 1 1 27 79 1 0 27 80 1 0 28 81 1 0 29 82 1 0 29 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 45107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 46112 1 0 M END