HMDB0260769 RDKit 3D PE(PGD1/14:1(9Z)) 122122 0 0 0 0 0 0 0 0999 V2000 13.9452 5.9000 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8514 5.5708 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8790 4.1566 -1.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7222 3.1554 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7547 1.7938 -1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7534 0.9651 -0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5141 1.2849 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 1.1930 -1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0749 1.5719 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 0.6681 0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5589 1.1027 1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2436 0.2496 2.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0039 -1.2068 2.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8547 -1.3539 1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0151 -1.4701 0.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5922 -1.3586 1.9166 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 -1.4917 1.1039 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6230 -0.2028 1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 -0.3865 0.3344 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.6339 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 1.6953 0.7817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 0.3683 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6508 1.5137 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 1.7705 0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 0.6873 1.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0946 0.0837 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0724 -0.5944 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4602 -1.2235 -0.5943 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8291 -2.2398 0.4318 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7227 -2.7836 1.0855 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8384 -1.6422 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0428 -0.2720 0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5704 0.5955 1.5655 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5241 -0.1827 -0.5229 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5910 -0.4893 -1.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8617 -0.6892 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9534 -0.9943 -2.0292 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.7467 -2.0236 -1.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7852 0.1616 -2.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5181 0.9277 -1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9537 1.7105 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1152 2.8954 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8345 2.6663 -1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -2.6421 1.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4802 -2.6724 0.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6172 -3.8886 0.9412 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5279 -4.2120 2.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1738 -3.2836 0.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -5.2547 0.0518 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0314 -5.5449 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2562 -6.8107 -0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -7.0774 -1.0467 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7608 5.1329 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3696 6.9026 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5667 5.9494 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8752 5.7500 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8634 6.2408 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8651 4.0051 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 4.0159 -2.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9273 3.3961 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6789 3.2735 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6692 1.4629 -1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8299 -0.0392 -1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4312 2.2100 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3884 0.4638 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1996 0.0930 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4296 1.7893 -2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1899 2.6442 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2009 1.5554 -1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6819 0.6392 1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6277 -0.3588 0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.1737 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 2.1301 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9845 0.3815 3.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2688 0.6315 3.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7095 -1.7107 3.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8630 -1.7206 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.6147 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4382 0.1849 2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 0.5736 0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -0.5757 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 0.2514 -1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9634 2.4418 -0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 1.5481 -1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 2.6547 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3323 2.2073 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -0.1512 1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 1.0818 2.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4555 -0.5957 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9048 0.8733 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9419 0.1109 -1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3773 -1.4381 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3662 -1.6382 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3476 -3.0800 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0269 -3.5946 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8217 -2.1723 1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5220 -1.6701 2.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1127 0.8412 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4163 -0.5658 -2.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0050 -0.6223 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5424 -1.5339 -2.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7555 -1.8708 -0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6464 -0.3530 -3.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3251 0.7589 -3.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2743 1.5695 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2284 0.1609 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8749 2.1106 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4997 1.0407 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8088 3.3561 0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6916 3.7549 -1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0879 2.1988 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8673 2.0052 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3422 3.6582 -1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -3.5786 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1295 -2.4142 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4009 -3.4994 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 -5.7776 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 -4.7069 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8178 -7.6924 -0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 -6.6123 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -7.9261 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 -7.0414 -2.0302 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 2 0 6 7 1 0 7 8 1 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 17 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 34 28 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 17 78 1 6 18 79 1 0 18 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 6 29 94 1 6 30 95 1 0 31 96 1 0 31 97 1 0 34 98 1 6 35 99 1 0 36100 1 0 37101 1 6 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 48116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 M END