HMDB0277741 RDKit 3D PI(22:2(13Z,16Z)/18:2(10E,12Z)+=O(9)) 149149 0 0 0 0 0 0 0 0999 V2000 3.9297 -11.0054 -3.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3505 -10.1830 -2.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 -8.7146 -2.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 -7.8289 -1.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 -8.0286 -1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 -7.1578 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -6.2632 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 -6.0512 -1.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4743 -5.1137 -2.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 -4.8909 -3.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 -5.5814 -4.3907 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 -3.8367 -3.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 -3.8399 -2.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1186 -2.7520 -2.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5077 -1.3766 -2.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7924 -1.0935 -1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1801 0.2868 -1.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 0.6122 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8293 1.9324 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 2.7593 -1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 2.3568 1.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4972 3.6252 1.0698 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9853 3.4583 1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6396 4.7374 1.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 4.7975 1.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5549 3.6452 1.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 6.0168 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 7.2844 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4493 7.2375 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 6.9222 -1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 6.9115 -2.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6097 6.5036 -3.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 5.0934 -3.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9762 4.1925 -3.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 2.7362 -3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 2.5998 -1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3762 1.1177 -1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 0.3590 -1.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7459 -0.3053 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 -0.3588 0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 -1.7315 1.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6081 -2.2567 2.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8696 -1.5486 3.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 -2.2295 3.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6981 -2.2758 2.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6314 -2.9409 2.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 -2.9988 1.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 4.4703 2.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 4.6924 1.9642 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0409 5.6201 3.2849 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3254 6.3141 2.9851 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8685 6.6815 3.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2977 4.4740 4.5314 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6078 4.0468 4.5354 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6116 2.6064 4.0598 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3988 2.6445 2.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9896 2.0326 4.2940 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0828 0.8384 3.6089 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2099 1.8813 5.7822 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5873 1.8380 6.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5335 2.9379 6.5933 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3499 2.5065 7.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2922 4.2257 5.8470 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4659 5.0146 6.6683 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 -11.0648 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 -12.0564 -3.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 -10.6687 -4.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 -10.4488 -2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8773 -10.4529 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -8.5410 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -8.4131 -3.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2426 -6.7806 -1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5445 -8.0418 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.0845 -0.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9553 -8.0153 -2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -7.2694 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3248 -5.6246 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -6.5980 -2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -4.5515 -1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6494 -4.0629 -4.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5871 -2.8402 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -3.8545 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6707 -4.8113 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9143 -2.7855 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6018 -2.9329 -3.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 -0.6442 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8346 -1.2550 -3.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0403 -1.8998 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5479 -1.1679 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 0.4007 -2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0523 0.9941 -1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1771 0.5740 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6989 -0.1704 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6801 4.1320 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 3.0393 2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4587 2.7642 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 6.1934 2.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6284 5.8930 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7796 8.1443 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 7.4721 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0395 8.2502 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 6.5525 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9148 5.9500 -1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2016 7.7057 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4868 8.0124 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 6.4301 -2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9903 6.4923 -4.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 7.2411 -3.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 5.0571 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6752 4.8259 -4.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2685 4.5559 -2.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 4.1970 -4.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9286 2.3161 -3.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 2.1981 -3.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 3.0455 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6788 3.1103 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1275 1.0754 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 0.7932 -2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4665 0.3517 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7687 -0.8336 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 0.1262 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1034 0.2681 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4903 -2.3909 0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9148 -3.3235 2.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 -0.5207 3.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 -1.4905 4.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -3.2348 4.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0052 -1.6503 4.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -1.2945 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 -2.9843 1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 -2.2966 3.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4454 -3.9528 3.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0873 -2.3452 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5136 -2.5512 1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -4.0380 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 4.0281 3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 5.4641 2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 6.3538 4.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1866 4.6053 3.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8195 1.9956 4.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7375 1.8213 2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7304 2.7754 3.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2429 0.3246 3.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8254 0.8527 6.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9674 1.1922 5.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2164 3.1988 7.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1625 1.5519 6.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2518 4.7776 5.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2319 4.5813 7.5061 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 63 54 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 9 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 22 94 1 6 23 95 1 0 23 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 52138 1 0 54139 1 6 55140 1 1 56141 1 0 57142 1 6 58143 1 0 59144 1 1 60145 1 0 61146 1 1 62147 1 0 63148 1 6 64149 1 0 M END