1 49 Palmitate 2 1 C 0.000000 0.000000 0.000000 3 2 17 18 3 2 C 0.000000 0.000000 1.534670 1 1 3 19 20 4 3 C 1.407774 0.000000 2.154707 1 2 4 21 22 5 4 C 1.367646 0.000000 3.691883 1 3 5 23 24 6 5 C 2.774184 0.000000 4.313261 1 4 6 25 26 7 6 C 2.778411 0.000000 5.852245 1 5 7 27 28 8 7 C 4.186749 0.000000 6.469982 1 6 8 29 30 9 8 C 4.191136 0.000000 8.009135 1 7 9 31 32 10 9 C 5.581126 0.000000 8.670522 1 8 10 33 34 11 10 C 5.580167 0.000000 10.209642 1 9 11 35 36 12 11 C 6.970819 0.000000 10.868821 1 10 12 37 38 13 12 C 6.972624 0.000000 12.408320 1 11 13 39 40 14 13 C 8.360285 0.000000 13.075783 1 12 14 41 42 15 14 C 8.386759 0.000000 14.618556 1 13 15 43 44 16 15 C 9.781493 0.000000 15.269595 1 14 16 45 46 17 16 C 9.789122 0.000000 16.803246 1 15 47 48 49 18 17 O -1.119808 0.000000 -0.570526 47 1 19 18 O 1.107098 0.000000 -0.594245 47 1 20 19 H -0.559695 0.894133 1.893431 5 2 21 20 H -0.559562 -0.894160 1.893571 5 2 22 21 H 1.969702 -0.896141 1.802992 5 3 23 22 H 1.970009 0.896313 1.803827 5 3 24 23 H 0.802370 0.894025 4.039506 5 4 25 24 H 0.806890 -0.895227 4.046705 5 4 26 25 H 3.345885 0.881826 3.942549 5 5 27 26 H 3.323631 -0.901840 3.956340 5 5 28 27 H 2.208025 0.882296 6.223534 5 6 29 28 H 2.226160 -0.901441 6.202445 5 6 30 29 H 4.760866 -0.875762 6.091622 5 7 31 30 H 4.737898 0.902878 6.121915 5 7 32 31 H 3.616507 0.883197 8.370835 5 8 33 32 H 3.625860 -0.891761 8.366789 5 8 34 33 H 6.150377 -0.885910 8.307263 5 9 35 34 H 6.155566 0.884254 8.311544 5 9 36 35 H 5.009964 -0.885357 10.572817 5 10 37 36 H 5.007337 0.885087 10.569416 5 10 38 37 H 7.542715 0.886086 10.510051 5 11 39 38 H 7.542392 -0.882964 10.502753 5 11 40 39 H 6.389276 0.876784 12.763954 5 12 41 40 H 6.406732 -0.889765 12.767845 5 12 42 41 H 8.918957 0.893439 12.714516 5 13 43 42 H 8.940657 -0.877176 12.707551 5 13 44 43 H 7.788454 -0.850237 15.014462 5 14 45 44 H 7.858128 0.918696 14.965379 5 14 46 45 H 10.328930 0.906537 14.920348 5 15 47 46 H 10.366007 -0.873267 14.898152 5 15 48 47 H 9.478735 -0.982353 17.220096 5 16 49 48 H 10.809254 0.204770 17.199525 5 16 50 49 H 9.112165 0.779589 17.218999 5 16 51