@MOLECULE (2e,4e,6e)-5-methyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6-heptatrienal 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.2993 0.8971 0.3577 O.2 1 UNL1111111111 -0.4377 2 C 3.1186 -0.9121 0.1637 C.3 1 UNL1111111111 0.1192 3 C 4.5702 -0.3802 0.1958 C.3 1 UNL1111111111 -0.2911 4 C 4.6363 1.0237 0.8005 C.3 1 UNL1111111111 -0.2615 5 C 2.1592 0.1570 -0.3072 C.2 1 UNL1111111111 -0.1224 6 C 3.8290 1.9984 -0.0638 C.3 1 UNL1111111111 -0.2825 7 C 2.4730 1.4584 -0.3990 C.2 1 UNL1111111111 0.0320 8 C 3.0712 -2.1197 -0.7929 C.3 1 UNL1111111111 -0.4649 9 C 2.7000 -1.3672 1.5737 C.3 1 UNL1111111111 -0.4603 10 C 0.8170 -0.3261 -0.6531 C.2 1 UNL1111111111 -0.0942 11 C 1.4931 2.4908 -0.8531 C.3 1 UNL1111111111 -0.4575 12 C -0.1890 -0.3219 0.2301 C.2 1 UNL1111111111 -0.2256 13 C -1.5443 -0.7687 -0.0924 C.2 1 UNL1111111111 0.1057 14 C -1.6733 -2.0734 -0.8025 C.3 1 UNL1111111111 -0.4631 15 C -2.5921 0.0061 0.2563 C.2 1 UNL1111111111 -0.2680 16 C -3.9771 -0.3138 -0.0209 C.2 1 UNL1111111111 -0.0374 17 C -4.9884 0.4990 0.3257 C.2 1 UNL1111111111 -0.3294 18 C -6.3913 0.1623 0.0411 C.2 1 UNL1111111111 0.3390 19 H 5.2124 -1.0754 0.7647 H 1 UNL1111111111 0.1375 20 H 4.9794 -0.3586 -0.8320 H 1 UNL1111111111 0.1416 21 H 5.6859 1.3597 0.8805 H 1 UNL1111111111 0.1328 22 H 4.2386 1.0142 1.8330 H 1 UNL1111111111 0.1411 23 H 4.3769 2.2110 -1.0069 H 1 UNL1111111111 0.1501 24 H 3.7395 2.9737 0.4560 H 1 UNL1111111111 0.1460 25 H 2.0975 -2.6194 -0.7588 H 1 UNL1111111111 0.1460 26 H 3.2515 -1.8112 -1.8279 H 1 UNL1111111111 0.1468 27 H 3.8292 -2.8632 -0.5266 H 1 UNL1111111111 0.1465 28 H 2.7086 -0.5278 2.2772 H 1 UNL1111111111 0.1483 29 H 1.6861 -1.7827 1.5726 H 1 UNL1111111111 0.1493 30 H 3.3741 -2.1372 1.9602 H 1 UNL1111111111 0.1447 31 H 0.7002 -0.6785 -1.6784 H 1 UNL1111111111 0.1523 32 H 1.0326 2.9938 0.0106 H 1 UNL1111111111 0.1609 33 H 0.6731 2.0652 -1.4484 H 1 UNL1111111111 0.1586 34 H 1.9670 3.2649 -1.4709 H 1 UNL1111111111 0.1533 35 H -0.0461 0.0497 1.2478 H 1 UNL1111111111 0.1675 36 H -0.7284 -2.6353 -0.8234 H 1 UNL1111111111 0.1605 37 H -1.9856 -1.9283 -1.8478 H 1 UNL1111111111 0.1644 38 H -2.4160 -2.7284 -0.3242 H 1 UNL1111111111 0.1622 39 H -2.4184 0.9514 0.7782 H 1 UNL1111111111 0.1664 40 H -4.1676 -1.2613 -0.5338 H 1 UNL1111111111 0.1415 41 H -4.8330 1.4499 0.8347 H 1 UNL1111111111 0.1793 42 H -6.6056 -0.7853 -0.4726 H 1 UNL1111111111 0.1019 @BOND 1 1 18 2 2 2 3 1 3 2 5 1 4 2 8 1 5 2 9 1 6 3 4 1 7 3 19 1 8 3 20 1 9 4 6 1 10 4 21 1 11 4 22 1 12 5 7 2 13 5 10 1 14 6 7 1 15 6 23 1 16 6 24 1 17 7 11 1 18 8 25 1 19 8 26 1 20 8 27 1 21 9 28 1 22 9 29 1 23 9 30 1 24 10 12 2 25 10 31 1 26 11 32 1 27 11 33 1 28 11 34 1 29 12 13 1 30 12 35 1 31 13 14 1 32 13 15 2 33 14 36 1 34 14 37 1 35 14 38 1 36 15 16 1 37 15 39 1 38 16 17 2 39 16 40 1 40 17 18 1 41 17 41 1 42 18 42 1