@MOLECULE 1-methyl-4-[(2e,4e)-6-methyl-2,4-heptadien-2-yl]cyclohexanecarbonitrile 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.4776 -0.4637 0.6162 N.1 1 UNL111111111 -0.2842 2 C -2.5281 1.1039 -0.1478 C.3 1 UNL111111111 0.0929 3 C -0.1895 -0.7211 -0.2008 C.3 1 UNL111111111 -0.1232 4 C -1.4421 1.1352 0.9525 C.3 1 UNL111111111 -0.2794 5 C -1.9361 0.5687 -1.4722 C.3 1 UNL111111111 -0.2796 6 C -0.7928 -0.2402 1.1322 C.3 1 UNL111111111 -0.2754 7 C -1.2855 -0.8044 -1.2773 C.3 1 UNL111111111 -0.2772 8 C 0.5028 -2.0427 -0.0091 C.2 1 UNL111111111 0.0329 9 C -3.0943 2.5165 -0.3622 C.3 1 UNL111111111 -0.4625 10 C -3.6159 0.2299 0.2785 C.1 1 UNL111111111 0.1090 11 C -0.3629 -3.2436 0.1899 C.3 1 UNL111111111 -0.4552 12 C 1.8392 -2.1615 -0.0258 C.2 1 UNL111111111 -0.2340 13 C 2.7701 -1.0551 -0.2335 C.2 1 UNL111111111 -0.1632 14 C 2.8745 -0.0320 0.6205 C.2 1 UNL111111111 -0.1704 15 C 3.7729 1.1577 0.4606 C.3 1 UNL111111111 -0.0687 16 C 2.8898 2.4140 0.3609 C.3 1 UNL111111111 -0.4464 17 C 4.7018 1.0757 -0.7553 C.3 1 UNL111111111 -0.4495 18 H 0.5592 0.0449 -0.5384 H 1 UNL111111111 0.1550 19 H -1.8800 1.4769 1.9092 H 1 UNL111111111 0.1463 20 H -0.6726 1.8842 0.6842 H 1 UNL111111111 0.1496 21 H -1.1891 1.2903 -1.8548 H 1 UNL111111111 0.1501 22 H -2.7256 0.5088 -2.2446 H 1 UNL111111111 0.1455 23 H -0.0047 -0.1927 1.9069 H 1 UNL111111111 0.1436 24 H -1.5356 -0.9707 1.5046 H 1 UNL111111111 0.1493 25 H -2.0509 -1.5523 -0.9957 H 1 UNL111111111 0.1496 26 H -0.8504 -1.1599 -2.2298 H 1 UNL111111111 0.1439 27 H -2.3096 3.2142 -0.6771 H 1 UNL111111111 0.1580 28 H -3.8726 2.5277 -1.1346 H 1 UNL111111111 0.1565 29 H -3.5418 2.9159 0.5560 H 1 UNL111111111 0.1567 30 H -1.2649 -3.0141 0.7747 H 1 UNL111111111 0.1589 31 H 0.1595 -4.0543 0.7154 H 1 UNL111111111 0.1543 32 H -0.6979 -3.6484 -0.7770 H 1 UNL111111111 0.1593 33 H 2.3224 -3.1317 0.1036 H 1 UNL111111111 0.1568 34 H 3.3760 -1.1358 -1.1364 H 1 UNL111111111 0.1525 35 H 2.2648 0.0008 1.5257 H 1 UNL111111111 0.1455 36 H 4.4103 1.2382 1.3804 H 1 UNL111111111 0.1383 37 H 2.2681 2.5376 1.2536 H 1 UNL111111111 0.1417 38 H 2.2213 2.3573 -0.5053 H 1 UNL111111111 0.1461 39 H 3.4984 3.3172 0.2518 H 1 UNL111111111 0.1433 40 H 4.1357 1.0381 -1.6926 H 1 UNL111111111 0.1471 41 H 5.3369 0.1838 -0.7105 H 1 UNL111111111 0.1453 42 H 5.3630 1.9473 -0.8063 H 1 UNL111111111 0.1410 @BOND 1 1 10 3 2 2 4 1 3 2 5 1 4 2 9 1 5 2 10 1 6 3 6 1 7 3 7 1 8 3 8 1 9 3 18 1 10 4 6 1 11 4 19 1 12 4 20 1 13 5 7 1 14 5 21 1 15 5 22 1 16 6 23 1 17 6 24 1 18 7 25 1 19 7 26 1 20 8 11 1 21 8 12 2 22 9 27 1 23 9 28 1 24 9 29 1 25 11 30 1 26 11 31 1 27 11 32 1 28 12 13 1 29 12 33 1 30 13 14 2 31 13 34 1 32 14 15 1 33 14 35 1 34 15 16 1 35 15 17 1 36 15 36 1 37 16 37 1 38 16 38 1 39 16 39 1 40 17 40 1 41 17 41 1 42 17 42 1