HMDB0299231 RDKit 3D DG(5-iso PGF2VI/0:0/i-16:0) 111111 0 0 0 0 0 0 0 0999 V2000 -2.0279 3.3350 3.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9086 3.2346 4.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5242 1.7738 4.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3857 1.5440 6.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9847 0.1369 6.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 -0.9242 6.2792 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2077 -0.8402 6.7523 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7906 -1.3632 4.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 -1.5062 3.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -1.9655 2.6151 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6538 -0.9752 1.5420 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8049 -0.0258 1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1067 -0.6378 1.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0569 -0.4107 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9106 0.4977 -0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1528 -0.2044 -1.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3192 -0.1921 -2.1124 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1636 -0.8394 -2.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2198 -1.4947 -3.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4351 -0.5648 -4.6378 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6839 0.0941 -4.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4213 0.5269 -4.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 0.3098 -4.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -0.2552 -4.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -0.7225 -3.0774 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 -0.3610 -4.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1286 -1.0715 -3.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5482 -1.2032 -4.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4032 -1.9291 -3.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8078 -2.0331 -3.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6539 -2.7700 -2.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6739 -2.0882 -1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 -0.6831 -1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -0.1678 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 1.2252 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1087 1.3471 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6452 2.7394 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9127 3.7745 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5414 5.1348 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 3.4566 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -1.8585 0.3026 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4004 -2.1183 -0.0769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4047 -3.1158 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1955 -3.2063 2.2449 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3839 -4.3389 2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0342 2.8908 2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 2.7169 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 4.3901 2.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9048 3.4220 5.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 3.9208 5.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 1.1970 4.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5809 1.5929 4.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 1.6885 6.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7003 2.2674 6.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 -0.0597 6.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 0.0821 7.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -1.8692 6.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 -1.0258 7.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -1.6145 4.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7546 -1.2678 4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3679 -2.2479 2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 -0.3702 1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6222 0.7738 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6925 0.5300 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3012 -1.3447 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0230 -0.9458 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0447 1.1415 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7799 1.2329 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1049 -2.2483 -3.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 -2.1558 -3.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5232 -1.1111 -5.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6207 1.0580 -4.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6161 1.1723 -3.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7759 1.2811 -5.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 -0.9612 -5.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 0.6573 -4.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 -0.5478 -2.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 -2.0879 -3.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -1.8466 -5.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9949 -0.2278 -4.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9744 -2.9161 -2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4032 -1.3480 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2441 -1.0651 -3.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8132 -2.6685 -4.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6476 -3.0318 -3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1207 -3.7480 -2.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3841 -2.6802 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6806 -2.0947 -0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2718 -0.7223 -1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 -0.0603 -2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 -0.2672 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7479 -0.8549 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 1.5101 1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1018 1.9279 -0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6754 0.7061 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3327 0.9254 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7186 2.7329 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6047 3.0163 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 3.8057 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1714 5.4662 -1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 5.9137 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2252 5.0750 0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 3.0064 -2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 2.7592 -2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9648 4.3985 -2.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1925 -1.3504 -0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 -3.0481 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4725 -3.1930 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8851 -3.9672 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1435 -3.3776 2.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 -4.1967 1.9633 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 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 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 38 40 1 0 11 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 44 10 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 1 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 1 11 62 1 6 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 19 69 1 0 19 70 1 0 20 71 1 6 21 72 1 0 22 73 1 0 22 74 1 0 26 75 1 0 26 76 1 0 27 77 1 0 27 78 1 0 28 79 1 0 28 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 6 42107 1 0 43108 1 0 43109 1 0 44110 1 1 45111 1 0 M END