HMDB0268698 RDKit 3D PG(TXB2/16:1(9Z)) 132132 0 0 0 0 0 0 0 0999 V2000 12.6472 5.2243 1.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0453 3.9930 2.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7073 2.7462 1.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4815 2.8373 0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3020 1.7055 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8732 1.5120 -0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4241 2.7320 -1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3709 3.4032 -1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4501 3.0862 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0591 2.9530 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 1.8770 -1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3072 0.4945 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3150 -0.0240 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 -0.0291 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -0.5634 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5943 -0.5381 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 -0.0399 -1.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -1.0687 -0.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -1.0894 -0.7005 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0456 -0.5773 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 -0.6474 -0.5371 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 0.0153 -1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 0.8191 -2.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8671 -0.1995 -2.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6016 -1.3139 -1.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9933 -1.1124 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6499 -2.3296 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8573 -2.4360 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7936 -1.3001 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0526 -1.5747 0.1105 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7346 -2.8301 0.6720 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3167 -3.0737 1.9835 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2228 -2.6583 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7650 -1.7535 -0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0761 -2.4541 -1.5414 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0356 -0.6172 -0.6224 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0372 -0.4657 0.3408 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4760 0.8956 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2058 1.8668 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7313 3.2729 0.9710 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3859 3.3668 0.6713 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5541 4.1624 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0029 4.1622 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8014 5.0471 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3516 6.4813 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4807 7.0689 0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -2.5404 -1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8021 -3.3742 -0.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4265 -4.9517 -0.4763 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0665 -5.2115 -0.3917 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9641 -5.1797 -2.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1697 -6.0694 0.5519 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 -7.3607 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5199 -8.3095 1.1239 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1024 -8.0446 2.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -9.7556 0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -9.9945 0.8181 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5186 6.1246 2.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6812 5.0560 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4018 5.4938 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5326 3.9406 3.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1488 4.0294 2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 2.6775 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0503 1.8296 2.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2640 3.7907 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5560 2.8764 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6509 0.7278 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9037 1.9112 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2865 1.2205 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9180 0.6718 -1.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0209 3.0978 -2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1546 4.3086 -1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4489 3.9275 0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6604 2.1697 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8831 3.9268 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 2.8852 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0923 1.9101 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8337 2.1250 -2.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2985 0.2966 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1736 -0.1825 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5843 -1.0691 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3032 0.5676 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0173 -0.6351 -1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6425 0.9887 -1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1149 -1.5998 0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7734 0.1196 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 -0.5581 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 0.4715 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -1.1965 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 -0.3997 -3.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 0.7705 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5247 -1.4922 -2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9706 -2.2375 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1015 -0.8942 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6402 -0.2201 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0327 -3.2701 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1924 -3.4432 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1663 -1.3056 1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3912 -0.3135 0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8781 -1.7704 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4889 -3.7321 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9057 -2.5793 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5253 -2.3741 1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6869 -3.6658 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7608 -1.3800 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1419 -1.7870 -2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5213 -0.6571 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5276 1.1095 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1541 1.5748 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9033 3.6207 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9015 2.8963 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4010 3.8695 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1596 5.1903 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1444 4.5700 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4632 3.1682 0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8757 5.0399 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7240 4.6754 -1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0412 7.0327 -1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3295 6.6133 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0684 6.4166 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0180 8.0450 0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4926 7.2932 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 -2.5115 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6552 -2.8833 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8973 -4.8846 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2754 -7.5198 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1648 -7.5809 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6252 -8.1256 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 -7.6994 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8455 -10.4196 1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 -9.9039 -0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2039 -10.9736 1.0065 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 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 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 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 19 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 37 30 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 19 87 1 6 20 88 1 0 20 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 6 31101 1 6 32102 1 0 33103 1 0 33104 1 0 34105 1 0 35106 1 0 37107 1 1 38108 1 0 39109 1 0 40110 1 1 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 53126 1 0 53127 1 0 54128 1 1 55129 1 0 56130 1 0 56131 1 0 57132 1 0 M END