@MOLECULE (2r,5e)-2,6,10-trimethyl-5,9-undecadienal 39 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6503 0.3843 2.0823 O.2 1 UNL1111111111 -0.4696 2 C -2.2303 -0.6376 -1.2586 C.3 1 UNL1111111111 -0.2668 3 C -1.5184 -1.9554 -0.9076 C.3 1 UNL1111111111 -0.2674 4 C -1.8496 0.4882 -0.2888 C.3 1 UNL1111111111 -0.2164 5 C 0.8516 -1.9503 -0.0654 C.2 1 UNL1111111111 0.0513 6 C 2.3171 -1.7431 -0.3224 C.3 1 UNL1111111111 -0.2862 7 C -0.0393 -1.8118 -1.0563 C.2 1 UNL1111111111 -0.2405 8 C 2.7640 -0.3700 0.2165 C.3 1 UNL1111111111 -0.2525 9 C -2.4881 1.8144 -0.7046 C.3 1 UNL1111111111 -0.4400 10 C 0.4837 -2.2804 1.3422 C.3 1 UNL1111111111 -0.4634 11 C -2.3290 0.1664 1.1085 C.2 1 UNL1111111111 0.3575 12 C 2.2171 0.7399 -0.6197 C.2 1 UNL1111111111 -0.2323 13 C 1.5702 1.8120 -0.1437 C.2 1 UNL1111111111 0.0476 14 C 1.0703 2.8776 -1.0675 C.3 1 UNL1111111111 -0.4580 15 C 1.2918 2.0455 1.3023 C.3 1 UNL1111111111 -0.4675 16 H -1.9616 -0.3360 -2.2904 H 1 UNL1111111111 0.1473 17 H -3.3249 -0.7912 -1.2662 H 1 UNL1111111111 0.1342 18 H -1.8801 -2.7628 -1.5792 H 1 UNL1111111111 0.1434 19 H -1.8011 -2.2778 0.1130 H 1 UNL1111111111 0.1406 20 H -0.7298 0.5979 -0.2831 H 1 UNL1111111111 0.1905 21 H 2.9088 -2.5457 0.1609 H 1 UNL1111111111 0.1436 22 H 2.5506 -1.8175 -1.4024 H 1 UNL1111111111 0.1436 23 H 0.2813 -1.5578 -2.0650 H 1 UNL1111111111 0.1462 24 H 3.8726 -0.3148 0.2202 H 1 UNL1111111111 0.1416 25 H 2.4554 -0.2753 1.2771 H 1 UNL1111111111 0.1495 26 H -2.2359 2.6161 0.0018 H 1 UNL1111111111 0.1532 27 H -2.1304 2.1278 -1.6931 H 1 UNL1111111111 0.1529 28 H -3.5803 1.7466 -0.7584 H 1 UNL1111111111 0.1451 29 H -0.1771 -3.1551 1.3998 H 1 UNL1111111111 0.1525 30 H 1.3565 -2.4940 1.9718 H 1 UNL1111111111 0.1523 31 H -0.0460 -1.4348 1.8148 H 1 UNL1111111111 0.1741 32 H -3.3319 -0.2653 1.2160 H 1 UNL1111111111 0.1055 33 H 2.3850 0.6161 -1.6877 H 1 UNL1111111111 0.1439 34 H 1.6714 3.7927 -0.9648 H 1 UNL1111111111 0.1571 35 H 1.1115 2.5783 -2.1222 H 1 UNL1111111111 0.1476 36 H 0.0276 3.1427 -0.8457 H 1 UNL1111111111 0.1522 37 H 0.9938 3.0786 1.5173 H 1 UNL1111111111 0.1509 38 H 2.1610 1.8228 1.9347 H 1 UNL1111111111 0.1547 39 H 0.4660 1.3979 1.6519 H 1 UNL1111111111 0.1815 @BOND 1 1 11 2 2 2 3 1 3 2 4 1 4 2 16 1 5 2 17 1 6 3 7 1 7 3 18 1 8 3 19 1 9 4 9 1 10 4 11 1 11 4 20 1 12 5 6 1 13 5 7 2 14 5 10 1 15 6 8 1 16 6 21 1 17 6 22 1 18 7 23 1 19 8 12 1 20 8 24 1 21 8 25 1 22 9 26 1 23 9 27 1 24 9 28 1 25 10 29 1 26 10 30 1 27 10 31 1 28 11 32 1 29 12 13 2 30 12 33 1 31 13 14 1 32 13 15 1 33 14 34 1 34 14 35 1 35 14 36 1 36 15 37 1 37 15 38 1 38 15 39 1