HMDB0264132 RDKit 3D PA(LTE4/18:3(6Z,9Z,12Z)) 130129 0 0 0 0 0 0 0 0999 V2000 -13.6461 4.4689 -2.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7965 5.0381 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8004 4.4780 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3714 4.7601 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4154 4.1463 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0619 4.4636 0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1405 3.5917 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3819 2.1322 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1235 1.5106 -1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2076 0.6099 -1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3878 0.1307 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4473 -0.7964 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6055 -1.2959 0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 -2.1770 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7647 -2.7411 1.2721 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1844 -2.0413 1.5372 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 -0.4071 2.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1191 0.7043 1.1126 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4050 0.7537 0.5415 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 0.5495 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1423 0.8259 0.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3317 0.1116 -1.1992 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 -0.0892 -2.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 -1.0768 -2.1356 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0905 -2.4454 -1.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1716 -2.9485 -2.6583 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3468 -4.4721 -2.1473 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2601 -4.4962 -0.6395 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6262 -5.7143 -2.7365 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9286 -4.7600 -2.6746 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5179 -0.6789 -1.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -0.5257 -1.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2402 -0.7419 -2.6022 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8109 -0.0977 -0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 1.3759 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 1.9766 0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 1.3727 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3738 1.9412 1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0451 1.2995 2.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -0.1057 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0864 -1.0374 1.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 -2.0887 1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8003 -2.4413 0.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9472 -2.4568 -0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7641 -1.6898 -1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6404 -0.7192 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3277 0.7035 -1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2528 1.6995 -0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9260 3.0872 -0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8693 4.0575 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 -3.0864 2.5227 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1821 -2.0300 3.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6419 -4.0560 2.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4931 -4.4826 3.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5753 -5.4279 2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5519 -4.9028 1.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4980 -3.7379 1.3821 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5716 -5.7305 1.3826 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6275 4.0017 -2.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4225 5.2531 -3.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8325 3.6964 -2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7443 6.1515 -0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8031 4.8074 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9518 3.3686 0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9630 4.9375 0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1824 4.3537 -1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1811 5.8457 -0.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6227 4.6874 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6406 3.1228 0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8171 5.5606 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1295 3.9643 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8906 1.6466 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4933 1.9790 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7596 1.8811 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0540 0.1845 -2.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4513 0.4676 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3238 -1.1667 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7857 -0.8877 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -2.5345 -0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -3.8340 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1315 -0.3167 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 -0.1456 3.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8677 1.6670 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 0.4193 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7328 1.7588 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 -0.4365 -3.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8729 0.9032 -2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -1.2213 -3.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -2.3554 -0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 -3.1548 -1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4786 -5.7626 -2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 -5.6899 -2.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7193 -0.7120 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3903 -0.4041 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0166 1.8531 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3352 1.6164 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 3.0582 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 1.8065 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6615 1.8223 -0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2771 0.3157 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5748 3.0586 1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7898 1.9612 2.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0855 -0.4424 2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8052 -0.1405 3.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9978 -0.8363 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6069 -2.7311 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8859 -3.5606 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6036 -2.0009 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2817 -3.1919 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7761 -1.8032 -2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 -0.9052 -1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7766 -0.7626 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2768 0.9585 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4983 0.6824 -2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3021 1.4349 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0324 1.6740 0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0022 3.1703 -2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9010 3.3689 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9036 3.7488 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6996 5.0646 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6797 4.0549 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9439 -3.6470 3.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5809 -1.3548 3.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -3.5514 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 -4.9373 1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9637 -3.5795 3.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8231 -4.9227 3.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0684 -6.3274 2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1394 -5.7223 3.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0156 -5.5581 0.4766 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 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 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 2 0 27 29 1 0 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 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 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 15 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 2 0 56 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 6 17 81 1 0 17 82 1 0 18 83 1 1 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 6 25 89 1 0 25 90 1 0 29 91 1 0 30 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 50121 1 0 51122 1 1 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 58130 1 0 M END