@MOLECULE (2e)-{(4e)-4-[(3e)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ylidene]-2-cyclohepten-1-ylidene}acetaldehyde 53 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.1155 2.1045 0.6485 C.3 1 UNL1 -0.4649 2 C 3.2997 1.5771 -1.6669 C.3 1 UNL1 -0.4592 3 C 2.4101 -2.4604 0.6130 C.3 1 UNL1 -0.4547 4 C -0.6904 2.5231 0.7300 C.3 1 UNL1 -0.4426 5 O -6.3587 0.2851 -2.6656 O.2 1 UNL1 -0.4454 6 C 5.3479 0.4295 -0.7356 C.3 1 UNL1 -0.2916 7 C 4.5765 -1.9441 -0.5481 C.3 1 UNL1 -0.2817 8 C 5.2484 -0.9133 -1.4623 C.3 1 UNL1 -0.2620 9 C -1.3577 -1.2647 1.2852 C.3 1 UNL1 -0.2663 10 C -2.7007 -1.9793 1.0734 C.3 1 UNL1 -0.2531 11 C -3.4688 -1.4071 -0.1264 C.3 1 UNL1 -0.2974 12 C -0.5592 1.0360 0.7431 C.2 1 UNL1 -0.0000 13 C 3.0439 -0.0972 0.1462 C.2 1 UNL1 -0.1036 14 C 3.3224 -1.4074 0.0714 C.2 1 UNL1 0.0190 15 C -1.4908 0.2289 1.2777 C.2 1 UNL1 -0.0675 16 C -4.2131 -0.1377 0.1666 C.2 1 UNL1 0.1411 17 C 1.8104 0.3869 0.7781 C.2 1 UNL1 -0.1255 18 C 0.6593 0.5207 0.1123 C.2 1 UNL1 -0.1901 19 C -5.1210 0.3809 -0.6820 C.2 1 UNL1 -0.3954 20 C -5.4901 -0.2005 -1.9763 C.2 1 UNL1 0.3528 21 C -2.7004 0.7611 1.9077 C.2 1 UNL1 -0.0938 22 C -3.9323 0.5740 1.4162 C.2 1 UNL1 -0.2135 23 C 3.9458 0.9877 -0.3996 C.3 1 UNL1 0.1170 24 H 5.9308 0.3031 0.1964 H 1 UNL1 0.1411 25 H 5.9066 1.1593 -1.3475 H 1 UNL1 0.1371 26 H 1.9037 0.6379 1.8361 H 1 UNL1 0.1544 27 H 4.3613 -2.8684 -1.1203 H 1 UNL1 0.1433 28 H 5.2780 -2.2460 0.2585 H 1 UNL1 0.1481 29 H 4.6677 -0.8004 -2.3973 H 1 UNL1 0.1409 30 H 6.2513 -1.2637 -1.7649 H 1 UNL1 0.1316 31 H 0.5631 0.2668 -0.9442 H 1 UNL1 0.1622 32 H 4.4730 1.7009 1.6015 H 1 UNL1 0.1460 33 H 4.8345 2.8572 0.3103 H 1 UNL1 0.1450 34 H 3.1679 2.6194 0.8413 H 1 UNL1 0.1501 35 H 2.3204 2.0157 -1.4434 H 1 UNL1 0.1503 36 H 3.9241 2.3620 -2.1031 H 1 UNL1 0.1437 37 H 3.1462 0.8053 -2.4283 H 1 UNL1 0.1470 38 H -2.5309 1.3349 2.8222 H 1 UNL1 0.1512 39 H -0.9117 -1.5853 2.2506 H 1 UNL1 0.1470 40 H -0.6384 -1.5935 0.5045 H 1 UNL1 0.1527 41 H 1.8816 -2.9735 -0.2032 H 1 UNL1 0.1555 42 H 2.9623 -3.2219 1.1796 H 1 UNL1 0.1523 43 H 1.6444 -2.0528 1.2875 H 1 UNL1 0.1562 44 H -4.8091 0.9841 1.9226 H 1 UNL1 0.1617 45 H -2.5184 -3.0600 0.9184 H 1 UNL1 0.1351 46 H -3.3197 -1.9103 1.9887 H 1 UNL1 0.1468 47 H -2.7547 -1.2198 -0.9606 H 1 UNL1 0.1680 48 H -4.1744 -2.1792 -0.5003 H 1 UNL1 0.1524 49 H -0.4434 2.9475 1.7143 H 1 UNL1 0.1576 50 H -0.0203 2.9926 -0.0038 H 1 UNL1 0.1585 51 H -1.7129 2.8421 0.4805 H 1 UNL1 0.1598 52 H -5.6491 1.3075 -0.4452 H 1 UNL1 0.1834 53 H -4.9587 -1.0963 -2.3256 H 1 UNL1 0.0996 @BOND 1 5 20 2 2 37 2 1 3 29 8 1 4 53 20 1 5 36 2 1 6 20 19 1 7 30 8 1 8 2 35 1 9 2 23 1 10 8 6 1 11 8 7 1 12 25 6 1 13 27 7 1 14 47 11 1 15 31 18 1 16 6 23 1 17 6 24 1 18 19 52 1 19 19 16 2 20 7 14 1 21 7 28 1 22 48 11 1 23 23 13 1 24 23 1 1 25 41 3 1 26 11 16 1 27 11 10 1 28 50 4 1 29 14 13 2 30 14 3 1 31 18 12 1 32 18 17 2 33 13 17 1 34 16 22 1 35 33 1 1 36 51 4 1 37 40 9 1 38 3 42 1 39 3 43 1 40 1 34 1 41 1 32 1 42 4 12 1 43 4 49 1 44 12 15 2 45 17 26 1 46 45 10 1 47 10 9 1 48 10 46 1 49 15 9 1 50 15 21 1 51 9 39 1 52 22 21 2 53 22 44 1 54 21 38 1