HMDB0115427 RDKit 3D PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) 141140 0 0 0 0 0 0 0 0999 V2000 7.4783 -2.7040 -4.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -3.3077 -3.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3865 -2.4975 -2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0122 -1.9124 -1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6282 -1.9925 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 -0.6578 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6608 -0.1428 0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7956 -0.7834 1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -0.8017 2.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -1.8185 3.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 -3.2162 3.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 -4.0282 2.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 -4.7909 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -4.9893 0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 -4.6860 -0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 -4.1808 -1.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 -3.7782 -1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 -4.5903 -1.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -4.1360 -2.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -2.6947 -2.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5774 -2.3118 -2.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9184 -0.9001 -2.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -0.5315 -1.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1651 0.0780 -2.8377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 1.4107 -3.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6559 1.7092 -3.9333 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7386 3.2378 -4.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 3.6592 -4.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4672 5.3293 -4.6658 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4283 5.7203 -5.7808 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 6.1844 -3.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 5.8875 -5.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8762 1.1712 -3.5859 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6065 0.4161 -4.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 0.2317 -5.6058 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9025 -0.1814 -4.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7570 0.2377 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2834 -0.0104 -1.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0616 -1.4838 -1.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5986 -1.7833 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5852 -1.4087 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8272 -1.7756 2.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6232 -1.5225 3.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9026 -1.8426 4.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6661 -0.9213 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 -1.1276 6.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 -0.2250 6.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -0.0945 5.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8641 0.4391 4.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3143 1.5612 3.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4017 2.4130 4.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9465 2.5435 3.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8097 3.4495 4.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 3.6745 3.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 4.3176 2.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 4.5769 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 5.2115 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 6.4958 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3447 -1.6244 -4.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6544 -3.1834 -5.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4175 -2.9422 -5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5611 -3.5917 -2.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0938 -4.2938 -3.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4523 -2.3997 -2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7269 -1.3184 -0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5337 -2.6452 0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0153 -2.5034 -1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8588 -0.0614 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 0.8867 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 -0.0758 2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3424 -1.7295 1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 0.2090 2.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 -1.6771 3.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4522 -3.5275 4.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 -3.3592 2.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 -3.9924 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -5.4061 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7435 -6.0950 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2789 -4.4788 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -4.9388 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5612 -4.0116 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 -3.6520 -0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9953 -2.6979 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -5.7062 -1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 -4.8664 -2.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3419 -2.5784 -3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -1.9906 -2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 -2.9116 -2.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5956 -2.6227 -0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 2.0254 -3.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8356 1.8134 -1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 1.3812 -5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 3.4391 -4.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 3.7479 -3.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 5.9699 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 5.9249 -4.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8531 -1.3211 -4.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5085 0.0463 -5.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7954 -0.1661 -3.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8917 1.3622 -3.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4578 0.6397 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1263 0.2764 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0411 -1.9906 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3587 -1.9475 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4025 -2.8915 0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -1.3012 0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7782 -0.3219 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4678 -2.0396 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8537 -1.2557 2.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6155 -2.8738 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8404 -0.4189 3.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6168 -2.0091 3.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6135 -1.5979 5.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5989 -2.8917 4.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 0.0958 4.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 -1.2841 3.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -2.2091 6.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6055 -1.0134 6.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3156 -0.5544 7.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 0.8159 6.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 -1.1283 5.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 0.4529 5.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 -0.0522 3.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5403 1.9283 2.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 3.4757 4.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2656 2.2224 5.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 1.5408 3.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 2.9661 2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 3.0947 5.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 4.4533 4.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 4.3670 4.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 2.7291 3.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3636 3.6770 1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 5.2965 2.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9152 5.2539 2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 3.6428 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9633 5.4053 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3986 4.5336 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1035 6.2857 0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 7.0845 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 7.1003 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 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 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 6 27 93 1 0 27 94 1 0 31 95 1 0 32 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 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 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 58139 1 0 58140 1 0 58141 1 0 M END