@MOLECULE (2e,4e,6e,8e,10e,12e,14e,16e,18e,20e)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenal 82 82 0 0 0 SMALL USER_CHARGES @ATOM 1 O -16.2808 0.6339 0.2727 O.2 1 UNL11 -0.4229 2 C 11.2464 0.4382 -0.4477 C.3 1 UNL11 0.1185 3 C 12.6282 -0.2524 -0.3838 C.3 1 UNL11 -0.2913 4 C 12.5005 -1.7651 -0.5767 C.3 1 UNL11 -0.2618 5 C 10.2211 -0.3281 0.3571 C.2 1 UNL11 -0.1138 6 C 11.6610 -2.3614 0.5587 C.3 1 UNL11 -0.2817 7 C 10.4018 -1.5842 0.7930 C.2 1 UNL11 0.0247 8 C 10.7676 0.5185 -1.9090 C.3 1 UNL11 -0.4597 9 C 11.3983 1.8655 0.1131 C.3 1 UNL11 -0.4646 10 C 8.9779 0.4014 0.6346 C.2 1 UNL11 -0.1128 11 C 9.3587 -2.3250 1.5654 C.3 1 UNL11 -0.4565 12 C 7.9030 0.3218 -0.1599 C.2 1 UNL11 -0.2054 13 C 6.6455 1.0207 0.1086 C.2 1 UNL11 0.0642 14 C 6.7465 2.4041 0.6589 C.3 1 UNL11 -0.4540 15 C 5.4761 0.3989 -0.1425 C.2 1 UNL11 -0.2315 16 C 4.1684 0.9754 0.1053 C.2 1 UNL11 -0.1198 17 C 3.0406 0.4223 -0.3745 C.2 1 UNL11 -0.1946 18 C 1.7037 0.9679 -0.1484 C.2 1 UNL11 0.0530 19 C 1.5918 2.4436 0.0507 C.3 1 UNL11 -0.4545 20 C 0.6394 0.1377 -0.1316 C.2 1 UNL11 -0.2207 21 C -0.7298 0.5598 0.0890 C.2 1 UNL11 -0.1390 22 C -1.7825 -0.2418 -0.1651 C.2 1 UNL11 -0.1555 23 C -3.1483 0.2022 0.0325 C.2 1 UNL11 -0.2026 24 C -4.2493 -0.4640 -0.3754 C.2 1 UNL11 0.0357 25 C -5.5677 0.1049 -0.1009 C.2 1 UNL11 -0.1718 26 C -4.2032 -1.7663 -1.1023 C.3 1 UNL11 -0.4508 27 C -6.6947 -0.6183 0.0235 C.2 1 UNL11 -0.1394 28 C -9.1587 -0.6443 0.2867 C.2 1 UNL11 0.0307 29 C -7.9758 0.0029 0.3027 C.2 1 UNL11 -0.2043 30 C -10.3880 0.1041 0.5542 C.2 1 UNL11 -0.1503 31 C -9.2941 -2.1013 -0.0021 C.3 1 UNL11 -0.4504 32 C -11.5328 -0.0905 -0.1193 C.2 1 UNL11 -0.1604 33 C -12.7383 0.6724 0.1632 C.2 1 UNL11 -0.1392 34 C -13.9799 0.1994 -0.0445 C.2 1 UNL11 -0.0997 35 C -14.2808 -1.1534 -0.5774 C.3 1 UNL11 -0.4395 36 C -15.1492 1.0559 0.2814 C.2 1 UNL11 0.3228 37 H 13.1029 -0.0429 0.5934 H 1 UNL11 0.1411 38 H 13.2992 0.1783 -1.1475 H 1 UNL11 0.1365 39 H 13.4996 -2.2358 -0.6040 H 1 UNL11 0.1314 40 H 12.0303 -1.9875 -1.5531 H 1 UNL11 0.1407 41 H 12.2540 -2.3776 1.4979 H 1 UNL11 0.1487 42 H 11.4258 -3.4212 0.3341 H 1 UNL11 0.1444 43 H 11.4876 1.0531 -2.5351 H 1 UNL11 0.1435 44 H 9.8080 1.0430 -1.9824 H 1 UNL11 0.1510 45 H 10.6269 -0.4809 -2.3338 H 1 UNL11 0.1473 46 H 12.1984 2.4078 -0.4004 H 1 UNL11 0.1451 47 H 11.6357 1.8469 1.1816 H 1 UNL11 0.1459 48 H 10.4770 2.4443 -0.0130 H 1 UNL11 0.1482 49 H 8.9954 1.0084 1.5415 H 1 UNL11 0.1523 50 H 8.8166 -3.0241 0.9114 H 1 UNL11 0.1588 51 H 8.6059 -1.6587 2.0104 H 1 UNL11 0.1598 52 H 9.7941 -2.9095 2.3862 H 1 UNL11 0.1515 53 H 7.9118 -0.3052 -1.0543 H 1 UNL11 0.1606 54 H 7.7096 2.8763 0.4189 H 1 UNL11 0.1572 55 H 5.9650 3.0667 0.2623 H 1 UNL11 0.1569 56 H 6.6484 2.3979 1.7547 H 1 UNL11 0.1604 57 H 5.4754 -0.6115 -0.5590 H 1 UNL11 0.1566 58 H 4.1400 1.8817 0.7125 H 1 UNL11 0.1477 59 H 3.0757 -0.4946 -0.9672 H 1 UNL11 0.1544 60 H 2.4092 2.9913 -0.4385 H 1 UNL11 0.1564 61 H 1.6174 2.6962 1.1212 H 1 UNL11 0.1592 62 H 0.6572 2.8495 -0.3611 H 1 UNL11 0.1583 63 H 0.7813 -0.9338 -0.2918 H 1 UNL11 0.1533 64 H -0.8758 1.5715 0.4707 H 1 UNL11 0.1474 65 H -1.6400 -1.2564 -0.5374 H 1 UNL11 0.1492 66 H -3.2567 1.1564 0.5563 H 1 UNL11 0.1510 67 H -5.5893 1.1921 0.0127 H 1 UNL11 0.1523 68 H -5.0414 -1.8756 -1.8049 H 1 UNL11 0.1560 69 H -4.2491 -2.6095 -0.3973 H 1 UNL11 0.1589 70 H -3.2845 -1.8841 -1.6938 H 1 UNL11 0.1585 71 H -6.6860 -1.7042 -0.0781 H 1 UNL11 0.1515 72 H -7.9431 1.0734 0.5228 H 1 UNL11 0.1540 73 H -10.3139 0.8539 1.3459 H 1 UNL11 0.1555 74 H -9.1061 -2.3139 -1.0653 H 1 UNL11 0.1616 75 H -10.2934 -2.4897 0.2375 H 1 UNL11 0.1563 76 H -8.5788 -2.6988 0.5829 H 1 UNL11 0.1619 77 H -11.6082 -0.8351 -0.9150 H 1 UNL11 0.1609 78 H -12.5773 1.6749 0.5707 H 1 UNL11 0.1526 79 H -13.7327 -1.9405 -0.0402 H 1 UNL11 0.1575 80 H -15.3537 -1.4022 -0.4953 H 1 UNL11 0.1781 81 H -14.0171 -1.2351 -1.6425 H 1 UNL11 0.1590 82 H -14.9547 2.1067 0.5380 H 1 UNL11 0.1089 @BOND 1 43 8 1 2 45 8 1 3 44 8 1 4 8 2 1 5 68 26 1 6 70 26 1 7 81 35 1 8 40 4 1 9 38 3 1 10 26 69 1 11 26 24 1 12 74 31 1 13 53 12 1 14 59 17 1 15 77 32 1 16 39 4 1 17 35 80 1 18 35 34 1 19 35 79 1 20 4 3 1 21 4 6 1 22 57 15 1 23 65 22 1 24 2 3 1 25 2 9 1 26 2 5 1 27 60 19 1 28 46 9 1 29 3 37 1 30 24 25 1 31 24 23 2 32 17 18 1 33 17 16 2 34 62 19 1 35 63 20 1 36 22 23 1 37 22 21 2 38 12 13 1 39 12 10 2 40 18 20 2 41 18 19 1 42 15 16 1 43 15 13 2 44 20 21 1 45 32 33 1 46 32 30 2 47 25 67 1 48 25 27 2 49 71 27 1 50 34 33 2 51 34 36 1 52 48 9 1 53 31 75 1 54 31 28 1 55 31 76 1 56 27 29 1 57 23 66 1 58 19 61 1 59 21 64 1 60 16 58 1 61 13 14 1 62 9 47 1 63 33 78 1 64 55 14 1 65 1 36 2 66 36 82 1 67 28 29 2 68 28 30 1 69 29 72 1 70 42 6 1 71 5 10 1 72 5 7 2 73 54 14 1 74 30 73 1 75 6 7 1 76 6 41 1 77 10 49 1 78 14 56 1 79 7 11 1 80 50 11 1 81 11 51 1 82 11 52 1