@MOLECULE (2e,4e,6z,8e,10e,12r,13r,14e)-13-hydroxy-n-[(2s)-1-hydroxy-2-propanyl]-2,10,12,14-tetramethyl-2,4,6,8,10,14-heptadecahexaenamide 65 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.3079 -1.3701 -1.2624 O.3 0 UNK0 -0.5496 2 O 9.7362 -2.2604 -1.1387 O.3 1 ALA1 -0.5391 3 O 7.4647 -0.2602 1.7714 O.2 0 UNK0 -0.5336 4 N 8.5345 0.2308 -0.1488 N.am 1 ALA1 -0.6274 5 C -6.1452 0.3931 0.2779 C.3 0 UNK0 -0.1113 6 C -6.9749 -0.8548 -0.1195 C.3 0 UNK0 0.1312 7 C -8.3984 -0.4875 -0.4547 C.2 0 UNK0 -0.0769 8 C -6.6880 0.9981 1.5778 C.3 0 UNK0 -0.4493 9 C -4.7193 -0.0110 0.4799 C.2 0 UNK0 -0.1545 10 C -9.3875 -0.7525 0.4088 C.2 0 UNK0 -0.1795 11 C -8.6132 0.1866 -1.7643 C.3 0 UNK0 -0.4447 12 C -3.6537 0.5230 -0.1435 C.2 0 UNK0 -0.0043 13 C -10.8148 -0.3954 0.1558 C.3 0 UNK0 -0.2509 14 C -3.7438 1.5960 -1.1772 C.3 0 UNK0 -0.4416 15 C -2.3176 0.0379 0.2038 C.2 0 UNK0 -0.1286 16 C -11.6970 -0.6507 1.3787 C.3 0 UNK0 -0.4369 17 CA 9.7963 -0.3321 0.3587 C.3 1 ALA1 0.0738 18 C 9.7747 -1.8742 0.2177 C.3 1 ALA1 -0.0357 19 CB 10.9737 0.2626 -0.4167 C.3 1 ALA1 -0.4747 20 C -1.1662 0.5888 -0.2209 C.2 0 UNK0 -0.1857 21 C 7.4173 0.2443 0.6657 C.2 0 UNK0 0.5740 22 C 6.1842 0.8660 0.1064 C.2 0 UNK0 -0.1121 23 C 0.1295 0.0756 0.1873 C.2 0 UNK0 -0.1195 24 C 5.0234 0.2096 0.2731 C.2 0 UNK0 -0.1023 25 C 6.3354 2.1912 -0.5487 C.3 0 UNK0 -0.4393 26 C 1.2858 0.6352 -0.2161 C.2 0 UNK0 -0.1856 27 C 3.7362 0.6971 -0.1876 C.2 0 UNK0 -0.1792 28 C 2.5794 0.1362 0.2121 C.2 0 UNK0 -0.1159 29 H -6.2394 1.1437 -0.5458 H 0 UNK0 0.1551 30 H -6.9171 -1.6406 0.6680 H 0 UNK0 0.1226 31 H -6.6383 0.2891 2.4110 H 0 UNK0 0.1462 32 H -7.7339 1.3074 1.4658 H 0 UNK0 0.1506 33 H -6.1086 1.8846 1.8663 H 0 UNK0 0.1527 34 H -4.5911 -0.8113 1.2107 H 0 UNK0 0.1456 35 H -9.1934 -1.2498 1.3579 H 0 UNK0 0.1491 36 H -9.3690 -0.3325 -2.3705 H 0 UNK0 0.1525 37 H -7.6921 0.2363 -2.3671 H 0 UNK0 0.1689 38 H -8.9617 1.2211 -1.6266 H 0 UNK0 0.1549 39 H -6.8688 -2.0276 -1.7170 H 0 UNK0 0.3126 40 H -10.8951 0.6710 -0.1468 H 0 UNK0 0.1462 41 H -11.1980 -0.9740 -0.7125 H 0 UNK0 0.1473 42 H -3.1937 1.3138 -2.0876 H 0 UNK0 0.1586 43 H -4.7766 1.7986 -1.4926 H 0 UNK0 0.1530 44 H -3.3245 2.5417 -0.8066 H 0 UNK0 0.1531 45 H -2.2990 -0.8329 0.8665 H 0 UNK0 0.1473 46 H -11.3588 -0.0687 2.2438 H 0 UNK0 0.1450 47 H -11.6881 -1.7082 1.6663 H 0 UNK0 0.1448 48 H -12.7384 -0.3727 1.1822 H 0 UNK0 0.1413 49 HA 9.8837 -0.0792 1.4532 H 1 ALA1 0.1614 50 H1 8.9113 -2.3122 0.7517 H 1 ALA1 0.1382 51 H2 10.7119 -2.3274 0.5866 H 1 ALA1 0.1435 52 HB1 10.9791 -0.0762 -1.4623 H 1 ALA1 0.1650 53 HB2 10.9592 1.3575 -0.4076 H 1 ALA1 0.1496 54 HB3 11.9278 -0.0575 0.0200 H 1 ALA1 0.1592 55 H 8.5359 0.6383 -1.0656 H 1 ALA1 0.3122 56 H -1.1557 1.4526 -0.8860 H 0 UNK0 0.1541 57 H 0.1231 -0.7919 0.8510 H 0 UNK0 0.1493 58 H 5.0133 -0.7538 0.8009 H 0 UNK0 0.1683 59 H 6.3155 2.1047 -1.6454 H 0 UNK0 0.1580 60 H 5.5210 2.8782 -0.2652 H 0 UNK0 0.1675 61 H 7.2695 2.6999 -0.2703 H 0 UNK0 0.1565 62 H 8.9111 -1.9373 -1.5525 H 1 ALA1 0.3113 63 H 1.2929 1.4980 -0.8836 H 0 UNK0 0.1511 64 H 3.7471 1.5486 -0.8683 H 0 UNK0 0.1537 65 H 2.5709 -0.7201 0.8914 H 0 UNK0 0.1528 @BOND 1 1 6 1 2 1 39 1 3 2 18 1 4 2 62 1 5 3 21 2 6 4 17 1 7 4 21 am 8 4 55 1 9 5 6 1 10 5 8 1 11 5 9 1 12 5 29 1 13 6 7 1 14 6 30 1 15 7 10 2 16 7 11 1 17 8 31 1 18 8 32 1 19 8 33 1 20 9 12 2 21 9 34 1 22 10 13 1 23 10 35 1 24 11 36 1 25 11 37 1 26 11 38 1 27 12 14 1 28 12 15 1 29 13 16 1 30 13 40 1 31 13 41 1 32 14 42 1 33 14 43 1 34 14 44 1 35 15 20 2 36 15 45 1 37 16 46 1 38 16 47 1 39 16 48 1 40 17 18 1 41 17 19 1 42 17 49 1 43 18 50 1 44 18 51 1 45 19 52 1 46 19 53 1 47 19 54 1 48 20 23 1 49 20 56 1 50 21 22 1 51 22 24 2 52 22 25 1 53 23 26 2 54 23 57 1 55 24 27 1 56 24 58 1 57 25 59 1 58 25 60 1 59 25 61 1 60 26 28 1 61 26 63 1 62 27 28 2 63 27 64 1 64 28 65 1