@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 -5.5019 0.1478 -2.0032 O.3 0 UNK0 -0.5454 2 O 9.7567 -0.8967 0.4804 O.3 1 ALA1 -0.5543 3 O 5.2523 -1.6406 0.8667 O.2 0 UNK0 -0.5403 4 N 7.0989 -0.8476 -0.1680 N.am 1 ALA1 -0.6019 5 C -5.4461 0.4196 0.4176 C.3 0 UNK0 -0.1485 6 C -6.2934 0.0812 -0.8386 C.3 0 UNK0 0.1285 7 C -6.9215 -1.2858 -0.6947 C.2 0 UNK0 -0.0404 8 C -6.3547 0.9356 1.5386 C.3 0 UNK0 -0.4413 9 C -4.4355 1.4668 0.0733 C.2 0 UNK0 -0.1837 10 C -8.1653 -1.3955 -0.2131 C.2 0 UNK0 -0.1947 11 C -6.0660 -2.4268 -1.1215 C.3 0 UNK0 -0.4447 12 C -3.2026 1.5344 0.5998 C.2 0 UNK0 -0.0071 13 C -8.8915 -2.6815 0.0150 C.3 0 UNK0 -0.2492 14 C -2.6812 0.5693 1.6131 C.3 0 UNK0 -0.4457 15 C -2.2913 2.5969 0.1696 C.2 0 UNK0 -0.1461 16 C -8.7083 -3.1298 1.4687 C.3 0 UNK0 -0.4294 17 CA 7.8067 -2.1276 -0.0147 C.3 1 ALA1 0.1109 18 C 9.2959 -1.9269 -0.3788 C.3 1 ALA1 -0.0449 19 CB 7.2002 -3.1938 -0.9359 C.3 1 ALA1 -0.4819 20 C -0.9818 2.3919 -0.0493 C.2 0 UNK0 -0.1648 21 C 5.8395 -0.6954 0.3745 C.2 0 UNK0 0.5734 22 C 5.2387 0.6666 0.2653 C.2 0 UNK0 -0.0926 23 C -0.0943 3.4560 -0.4839 C.2 0 UNK0 -0.1375 24 C 4.0013 0.7712 -0.2461 C.2 0 UNK0 -0.1225 25 C 6.0554 1.7972 0.7778 C.3 0 UNK0 -0.4433 26 C 1.2239 3.3129 -0.7128 C.2 0 UNK0 -0.1709 27 C 3.2878 2.0271 -0.3994 C.2 0 UNK0 -0.1638 28 C 1.9551 2.0652 -0.5786 C.2 0 UNK0 -0.1297 29 H -4.9386 -0.5145 0.7644 H 0 UNK0 0.1472 30 H -7.0513 0.8732 -1.0457 H 0 UNK0 0.1501 31 H -5.7741 1.1649 2.4402 H 0 UNK0 0.1509 32 H -7.1112 0.1900 1.8111 H 0 UNK0 0.1493 33 H -6.8756 1.8545 1.2465 H 0 UNK0 0.1495 34 H -4.7731 2.1945 -0.6673 H 0 UNK0 0.1628 35 H -8.7370 -0.5108 0.0677 H 0 UNK0 0.1439 36 H -6.4698 -3.4006 -0.8129 H 0 UNK0 0.1556 37 H -5.0519 -2.3596 -0.7050 H 0 UNK0 0.1473 38 H -5.9752 -2.4463 -2.2205 H 0 UNK0 0.1676 39 H -4.6743 -0.3627 -1.9051 H 0 UNK0 0.3142 40 H -9.9706 -2.5572 -0.2100 H 0 UNK0 0.1394 41 H -8.5436 -3.4757 -0.6752 H 0 UNK0 0.1416 42 H -1.8566 0.9947 2.2033 H 0 UNK0 0.1592 43 H -3.4553 0.2660 2.3314 H 0 UNK0 0.1548 44 H -2.3004 -0.3430 1.1318 H 0 UNK0 0.1565 45 H -2.7506 3.5758 0.0198 H 0 UNK0 0.1513 46 H -9.0925 -2.3793 2.1684 H 0 UNK0 0.1430 47 H -7.6488 -3.2848 1.7036 H 0 UNK0 0.1457 48 H -9.2351 -4.0690 1.6651 H 0 UNK0 0.1388 49 HA 7.7211 -2.4581 1.0579 H 1 ALA1 0.1603 50 H1 9.4299 -1.5762 -1.4178 H 1 ALA1 0.1270 51 H2 9.8677 -2.8553 -0.2217 H 1 ALA1 0.1214 52 HB1 7.2210 -2.8893 -1.9868 H 1 ALA1 0.1517 53 HB2 7.7151 -4.1530 -0.8388 H 1 ALA1 0.1459 54 HB3 6.1423 -3.3606 -0.6711 H 1 ALA1 0.1835 55 H 7.6363 -0.0585 -0.4896 H 1 ALA1 0.3197 56 H -0.5360 1.4059 0.0963 H 0 UNK0 0.1569 57 H -0.5627 4.4361 -0.6163 H 0 UNK0 0.1473 58 H 3.4647 -0.1307 -0.5662 H 0 UNK0 0.1670 59 H 6.4878 2.3889 -0.0429 H 0 UNK0 0.1584 60 H 5.4529 2.4846 1.3932 H 0 UNK0 0.1683 61 H 6.8880 1.4653 1.4166 H 0 UNK0 0.1618 62 H 10.7184 -0.9696 0.6236 H 1 ALA1 0.3168 63 H 1.8192 4.1773 -1.0196 H 0 UNK0 0.1489 64 H 3.8831 2.9392 -0.3498 H 0 UNK0 0.1528 65 H 1.3662 1.1460 -0.6251 H 0 UNK0 0.1555 @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