HMDB0265644 RDKit 3D PA(22:0/PGD1) 140140 0 0 0 0 0 0 0 0999 V2000 17.3582 3.7038 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7533 3.8468 -1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2472 3.7835 -1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8647 2.4282 -0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3845 2.3170 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9281 0.9897 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3532 -0.1437 -0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0640 -1.5224 -0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7185 -2.1004 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8201 -1.4558 0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4865 -2.2213 0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7929 -2.1869 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4622 -2.9327 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -2.3853 0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1106 -0.9350 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4243 -0.8016 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2038 -1.5687 -1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9245 -1.2404 -0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7031 -0.9187 0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 0.4569 1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0857 1.4973 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 1.2192 1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4638 0.3305 1.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 1.8525 0.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 1.4910 1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 0.1029 0.7071 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1361 0.0525 -0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2962 -1.2895 -1.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4252 -1.6339 -2.7600 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1414 -1.3320 -3.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7432 -3.3124 -2.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7042 -0.8352 -3.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -0.4323 1.2572 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -1.6457 1.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1062 -2.2380 1.9224 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3691 -2.3524 2.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5636 -1.5668 2.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2232 -0.9610 1.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 -0.1605 2.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4300 -1.0519 2.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9236 -2.2092 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6873 -1.8656 0.8268 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0949 -3.1595 0.1249 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2427 -4.2035 0.4788 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4753 -3.4931 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0416 -2.2181 1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1833 -2.0826 1.4606 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9851 -1.1688 1.1417 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.3684 -0.1343 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5362 1.1369 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9168 2.2001 -0.5009 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1664 3.3379 -0.1114 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6034 1.8988 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0524 3.0777 -2.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5152 3.3570 -2.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8152 4.5637 -3.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3257 4.7982 -3.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3781 4.1305 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4345 2.6552 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6939 4.2592 0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0708 2.9344 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0705 4.7706 -1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8702 4.6190 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8048 3.7871 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3134 2.4425 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3502 1.6760 -1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9322 2.4563 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0089 3.1344 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4808 0.8920 1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8964 1.1346 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5043 -0.0651 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9753 0.0300 -1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6618 -1.7684 0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6696 -2.1793 -1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7984 -3.2150 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2055 -2.1239 -1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2555 -1.2582 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 -0.4421 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8988 -1.7814 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 -3.2792 1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7047 -1.1595 -0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3863 -2.7563 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0492 -3.0015 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7136 -3.9697 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5828 -2.9746 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9830 -2.3819 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 -0.2898 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -0.6325 1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1209 -1.0259 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 0.3251 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0231 -1.6789 -2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 -2.7015 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3338 -0.4973 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -2.1751 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 -1.2915 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4066 -1.5975 1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0115 0.8100 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 0.4913 2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 1.5477 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 2.4703 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 1.7210 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4312 2.1883 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 -0.5886 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1487 0.3638 -1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 0.7130 -1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5905 -3.7758 -2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5549 -1.2381 -3.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 -2.9807 3.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -3.1449 1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3069 -0.8009 3.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2679 -2.2927 3.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5326 -0.2415 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4628 -1.7281 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8801 0.2892 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0958 0.6076 2.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9930 -1.3839 3.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2838 -0.4000 3.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6648 -2.7503 2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1444 -2.9799 1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1256 -1.2603 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0512 -3.0265 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5737 -4.5787 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1107 -3.9070 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4927 -4.2355 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9514 -0.7894 2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5160 -0.4254 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3753 1.3977 1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0011 2.3899 -0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5883 3.7969 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9704 0.9459 -2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4774 1.8930 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8484 2.7899 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4567 3.9780 -2.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8334 3.6882 -1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1258 2.5121 -3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5436 4.3668 -4.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3134 5.4248 -3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5920 4.5670 -2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8781 4.0532 -4.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6049 5.8388 -3.6104 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 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 1 0 15 16 1 0 16 17 1 0 17 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 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 43 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 48 42 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 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 1 27104 1 0 27105 1 0 31106 1 0 32107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 6 43121 1 6 44122 1 0 45123 1 0 45124 1 0 48125 1 1 49126 1 0 50127 1 0 51128 1 6 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 57140 1 0 M END