HMDB0045529 RDKit 3D TG(20:0/16:0/20:0) 179178 0 0 0 0 0 0 0 0999 V2000 3.3350 -7.7936 1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2076 -7.0950 1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0485 -6.9397 0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 -6.2606 1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 -7.0222 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8647 -6.3505 3.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6136 -4.9887 3.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 -4.9449 5.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4767 -3.5107 5.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 -3.2903 6.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -3.6031 6.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8596 -3.3645 7.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7559 -1.9445 7.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0431 -0.8907 6.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4713 -0.9204 6.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 0.1816 5.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8899 0.3290 4.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 1.4333 3.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 2.7848 4.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1069 3.7394 3.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9552 4.3091 3.1409 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 4.0369 2.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4734 4.9010 0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 4.0323 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3618 2.8657 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 1.9779 -1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2063 0.8653 -1.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4447 0.7276 -1.4093 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -0.1454 -2.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 -1.3676 -1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7238 -2.5357 -2.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -3.6719 -1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -3.4724 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 -3.4171 -0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5131 -2.4812 -1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -1.0266 -1.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0805 -0.2939 -2.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 -0.5523 -4.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2435 0.2110 -5.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.0993 -5.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0175 -1.5525 -5.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5149 -1.7772 -5.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.0296 -6.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6168 -1.2662 -6.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3229 -0.8014 -5.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8197 -1.0486 -5.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4973 -0.5641 -4.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 3.6236 0.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0619 3.6104 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 4.0233 -0.3168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 3.1177 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 2.9287 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4454 1.8660 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 1.5803 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6887 2.7179 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1299 2.3159 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9465 3.4969 -1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 3.0863 -1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3299 4.0137 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6089 5.3184 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5681 6.3621 -1.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9415 6.7414 -2.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9486 7.8483 -2.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8079 7.5877 -1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9288 6.4604 -1.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1399 -7.0947 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 -8.2264 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -8.6595 1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9285 -7.7034 2.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -6.1177 2.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -7.9846 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -6.3894 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9376 -6.1868 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -5.2249 1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 -7.1602 3.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 -8.0437 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 -6.3612 2.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -6.9593 4.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 -4.6024 4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2766 -4.2718 3.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -5.5492 5.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3901 -5.3641 4.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -3.1312 5.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1447 -2.8653 4.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2584 -3.8948 7.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 -2.2234 6.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0586 -4.6470 5.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 -2.9713 5.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5193 -4.0300 8.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 -3.6357 7.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -1.7721 8.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4637 -1.8600 8.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 0.0978 7.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3017 -0.8849 6.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 -1.9239 5.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1331 -0.7400 7.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7769 -0.0038 4.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3503 1.1282 5.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 0.5133 5.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0725 -0.6133 4.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7018 1.4739 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9651 1.1597 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 2.7695 4.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 3.1308 4.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9155 5.7710 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 5.1565 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1336 4.5532 -0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 2.3006 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2180 3.2936 -0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 0.2176 -2.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -0.3750 -3.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3873 -1.7156 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7645 -1.0992 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 -2.2846 -3.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5357 -2.8459 -3.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 -4.6031 -2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -3.9616 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 -4.3787 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8058 -2.6342 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -3.4370 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 -4.4690 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7012 -2.8503 -2.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 -2.6766 -1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 -0.5763 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 -0.7799 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 0.7852 -2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1729 -0.5670 -2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 -1.6116 -4.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5416 -0.1349 -4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 0.0365 -6.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 1.2861 -4.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 0.5038 -6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 0.2851 -4.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -1.8814 -6.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -2.1953 -4.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0211 -1.5426 -4.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6671 -2.8586 -5.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6661 -1.4444 -7.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9894 0.0688 -6.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8787 -2.3335 -6.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0892 -0.7157 -7.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 0.3025 -5.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9883 -1.3203 -4.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0269 -2.1395 -5.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2771 -0.5363 -6.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7198 -0.2877 -3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1170 -1.3585 -3.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1834 0.2693 -4.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6062 2.1670 2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 3.8432 2.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7248 2.5288 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 3.8614 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 2.1077 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 0.9345 0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3121 1.0934 1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 0.7926 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6835 3.5139 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 3.1578 -1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5968 2.1318 0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2883 1.4552 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5267 3.7833 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8301 4.3311 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7722 2.7954 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4428 2.0984 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3360 3.4614 -1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0191 4.0991 -2.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5702 5.7388 -1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9768 5.1484 -0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1704 7.3213 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8551 6.3049 -0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7406 7.0832 -3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 5.8528 -2.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4573 8.7820 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5346 8.1976 -3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1837 7.4205 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2366 8.5530 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4409 5.8289 -2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 5.9390 -0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0337 6.9043 -2.2717 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 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 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 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 24 48 1 0 48 49 1 0 49 50 2 0 49 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 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 6 78 1 0 7 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 9 84 1 0 10 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 0 23106 1 0 24107 1 0 25108 1 0 25109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 47148 1 0 51149 1 0 51150 1 0 52151 1 0 52152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 60168 1 0 61169 1 0 61170 1 0 62171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 1 0 64176 1 0 65177 1 0 65178 1 0 65179 1 0 M END