@MOLECULE (2e,4e,6z,8e,10e,14e)-13-hydroxy-n-(1-hydroxy-2-propanyl)-2,10,12,14,16-pentamethyl-18-phenyl-2,4,6,8,10,14-octadecahexaenamide 81 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.5949 -2.3484 2.6645 O.3 0 UNK0 -0.5517 2 O 10.1285 -0.6516 1.8770 O.3 1 ALA1 -0.5417 3 O 8.0429 1.0943 -1.8826 O.2 0 UNK0 -0.5281 4 N 8.5434 0.9201 0.3147 N.am 1 ALA1 -0.6150 5 C -5.6256 -0.0941 -1.0998 C.3 0 UNK0 -0.0657 6 C -4.5483 -2.6163 1.6505 C.3 0 UNK0 0.1259 7 C -5.9519 1.2270 -0.3736 C.3 0 UNK0 -0.2675 8 C -4.1964 -3.9165 0.8760 C.3 0 UNK0 -0.1460 9 C -4.5283 -1.4234 0.7219 C.2 0 UNK0 0.0169 10 C -5.5664 -1.2084 -0.0973 C.2 0 UNK0 -0.2575 11 C -5.5631 2.4475 -1.2222 C.3 0 UNK0 -0.2943 12 C -6.6708 -0.3982 -2.1815 C.3 0 UNK0 -0.4511 13 C -4.3687 -5.1451 1.7750 C.3 0 UNK0 -0.4487 14 C -3.3109 -0.5745 0.8040 C.3 0 UNK0 -0.4361 15 C -2.7884 -3.8272 0.3826 C.2 0 UNK0 -0.1870 16 C -5.6672 3.6887 -0.3903 C.ar 0 UNK0 0.0228 17 C -2.4355 -3.6109 -0.8940 C.2 0 UNK0 0.0035 18 C -4.6219 4.0397 0.4682 C.ar 0 UNK0 -0.1797 19 C -6.8097 4.4882 -0.4527 C.ar 0 UNK0 -0.1823 20 C -3.4113 -3.4750 -2.0161 C.3 0 UNK0 -0.4530 21 C -1.0279 -3.4737 -1.2722 C.2 0 UNK0 -0.1487 22 C -4.7199 5.1832 1.2564 C.ar 0 UNK0 -0.1336 23 C -6.9051 5.6317 0.3379 C.ar 0 UNK0 -0.1340 24 C -5.8615 5.9813 1.1927 C.ar 0 UNK0 -0.1700 25 C -0.1762 -2.6938 -0.5863 C.2 0 UNK0 -0.1685 26 CA 9.9885 0.9699 0.0603 C.3 1 ALA1 0.0732 27 C 1.2154 -2.5208 -0.9645 C.2 0 UNK0 -0.1366 28 C 10.7313 0.5010 1.3329 C.3 1 ALA1 -0.0429 29 CB 10.4352 2.3928 -0.2982 C.3 1 ALA1 -0.4794 30 C 1.9974 -1.5929 -0.3824 C.2 0 UNK0 -0.1649 31 C 7.6532 0.9900 -0.7370 C.2 0 UNK0 0.5731 32 C 6.2123 0.9238 -0.3485 C.2 0 UNK0 -0.0836 33 C 3.3903 -1.4035 -0.7448 C.2 0 UNK0 -0.1389 34 C 5.5190 -0.1962 -0.6057 C.2 0 UNK0 -0.1389 35 C 5.6690 2.1651 0.2589 C.3 0 UNK0 -0.4382 36 C 4.1195 -0.3792 -0.2650 C.2 0 UNK0 -0.1543 37 H -6.4436 -1.8503 -0.0751 H 0 UNK0 0.1462 38 H -2.0320 -3.9223 1.1624 H 0 UNK0 0.1548 39 H -0.7222 -4.0270 -2.1604 H 0 UNK0 0.1537 40 H -0.5098 -2.1385 0.2947 H 0 UNK0 0.1570 41 H 1.5945 -3.1758 -1.7497 H 0 UNK0 0.1496 42 H 1.6060 -0.9359 0.3972 H 0 UNK0 0.1528 43 H 3.8208 -2.1355 -1.4309 H 0 UNK0 0.1526 44 H 6.0066 -1.0434 -1.1009 H 0 UNK0 0.1619 45 H 3.6803 0.3596 0.4077 H 0 UNK0 0.1528 46 H -3.4011 -3.1582 3.1740 H 0 UNK0 0.3124 47 H 10.0642 -1.3633 1.2080 H 1 ALA1 0.3178 48 H 8.2440 0.7903 1.2688 H 1 ALA1 0.3258 49 H -4.6262 0.0033 -1.5982 H 0 UNK0 0.1400 50 H -5.5351 -2.7198 2.1596 H 0 UNK0 0.1253 51 H -5.4141 1.2612 0.5957 H 0 UNK0 0.1529 52 H -7.0247 1.2669 -0.1135 H 0 UNK0 0.1431 53 H -4.9129 -4.0041 0.0204 H 0 UNK0 0.1535 54 H -6.2101 2.5089 -2.1190 H 0 UNK0 0.1466 55 H -4.5325 2.3294 -1.6147 H 0 UNK0 0.1503 56 H -7.6773 -0.4790 -1.7574 H 0 UNK0 0.1445 57 H -6.4488 -1.3404 -2.6928 H 0 UNK0 0.1395 58 H -6.6968 0.3912 -2.9399 H 0 UNK0 0.1422 59 H -3.7146 -5.1142 2.6527 H 0 UNK0 0.1408 60 H -4.1190 -6.0627 1.2262 H 0 UNK0 0.1547 61 H -5.4014 -5.2446 2.1268 H 0 UNK0 0.1461 62 H -3.2662 -0.0623 1.7806 H 0 UNK0 0.1727 63 H -3.2539 0.1882 0.0193 H 0 UNK0 0.1488 64 H -2.3983 -1.1898 0.7395 H 0 UNK0 0.1656 65 H -3.7323 3.4159 0.5223 H 0 UNK0 0.1531 66 H -7.6276 4.2180 -1.1162 H 0 UNK0 0.1502 67 H -4.1382 -2.6704 -1.8106 H 0 UNK0 0.1692 68 H -3.9794 -4.4030 -2.1690 H 0 UNK0 0.1550 69 H -2.9296 -3.2261 -2.9707 H 0 UNK0 0.1537 70 H -3.9046 5.4542 1.9239 H 0 UNK0 0.1460 71 H -7.7974 6.2521 0.2874 H 0 UNK0 0.1459 72 H -5.9372 6.8737 1.8088 H 0 UNK0 0.1476 73 HA 10.2190 0.2839 -0.8010 H 1 ALA1 0.1533 74 H1 11.7955 0.2983 1.1239 H 1 ALA1 0.1260 75 H2 10.6529 1.2307 2.1609 H 1 ALA1 0.1487 76 HB1 10.1694 3.1163 0.4790 H 1 ALA1 0.1513 77 HB2 9.9419 2.7209 -1.2275 H 1 ALA1 0.1788 78 HB3 11.5148 2.4460 -0.4655 H 1 ALA1 0.1493 79 H 6.4529 2.8708 0.5690 H 0 UNK0 0.1566 80 H 5.0500 1.9587 1.1446 H 0 UNK0 0.1610 81 H 5.0321 2.7029 -0.4649 H 0 UNK0 0.1725 @BOND 1 69 20 1 2 58 12 1 3 57 12 1 4 12 56 1 5 12 5 1 6 68 20 1 7 39 21 1 8 54 11 1 9 20 67 1 10 20 17 1 11 3 31 2 12 41 27 1 13 55 11 1 14 49 5 1 15 43 33 1 16 21 17 1 17 21 25 2 18 77 29 1 19 11 16 1 20 11 7 1 21 66 19 1 22 44 34 1 23 5 7 1 24 5 10 1 25 27 25 1 26 27 30 2 27 17 15 2 28 73 26 1 29 33 30 1 30 33 36 2 31 31 32 1 32 31 4 am 33 34 32 2 34 34 36 1 35 25 40 1 36 78 29 1 37 81 35 1 38 19 16 ar 39 19 23 ar 40 16 18 ar 41 30 42 1 42 7 52 1 43 7 51 1 44 32 35 1 45 29 26 1 46 29 76 1 47 36 45 1 48 10 37 1 49 10 9 2 50 63 14 1 51 53 8 1 52 26 4 1 53 26 28 1 54 35 79 1 55 35 80 1 56 71 23 1 57 4 48 1 58 23 24 ar 59 15 8 1 60 15 38 1 61 18 65 1 62 18 22 ar 63 9 14 1 64 9 6 1 65 64 14 1 66 14 62 1 67 8 6 1 68 8 13 1 69 74 28 1 70 24 22 ar 71 24 72 1 72 47 2 1 73 60 13 1 74 22 70 1 75 28 2 1 76 28 75 1 77 6 50 1 78 6 1 1 79 13 61 1 80 13 59 1 81 1 46 1