@MOLECULE (2e,4e,6z,8e)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-2,4,6,8-nonatetraenal 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6322 0.0917 1.3770 O.3 1 UNL1111111111 -0.3838 2 O 5.9725 1.5644 1.2352 O.2 1 UNL1111111111 -0.4443 3 C -1.9711 0.2048 0.1100 C.3 1 UNL1111111111 0.1050 4 C -3.4720 0.1725 0.2165 C.3 1 UNL1111111111 0.1876 5 C -1.2166 1.5177 -0.1016 C.3 1 UNL1111111111 0.0904 6 C -4.2945 1.4382 0.1364 C.3 1 UNL1111111111 -0.3005 7 C -2.1227 2.7056 0.2868 C.3 1 UNL1111111111 -0.2863 8 C -3.4870 2.6237 -0.4034 C.3 1 UNL1111111111 -0.2620 9 C -4.2230 -1.0915 -0.1023 C.3 1 UNL1111111111 -0.4748 10 C -1.2378 -1.0044 -0.3215 C.2 1 UNL1111111111 -0.1786 11 C 0.0233 1.5204 0.8057 C.3 1 UNL1111111111 -0.4646 12 C -0.7828 1.6390 -1.5703 C.3 1 UNL1111111111 -0.4648 13 C -0.8375 -1.9456 0.5368 C.2 1 UNL1111111111 -0.1617 14 C -0.0542 -3.1091 0.1058 C.2 1 UNL1111111111 0.0537 15 C -0.8311 -4.3683 -0.0687 C.3 1 UNL1111111111 -0.4504 16 C 1.2657 -3.0222 -0.1172 C.2 1 UNL1111111111 -0.2399 17 C 1.9997 -1.7764 0.0796 C.2 1 UNL1111111111 -0.0814 18 C 2.6656 -1.1506 -0.8993 C.2 1 UNL1111111111 -0.2327 19 C 3.3472 0.1276 -0.6831 C.2 1 UNL1111111111 0.1388 20 C 2.9683 1.2136 -1.6348 C.3 1 UNL1111111111 -0.4745 21 C 4.2416 0.2841 0.3066 C.2 1 UNL1111111111 -0.3737 22 C 4.9550 1.5376 0.5808 C.2 1 UNL1111111111 0.3513 23 H -4.6712 1.6736 1.1556 H 1 UNL1111111111 0.1610 24 H -5.1934 1.2814 -0.4898 H 1 UNL1111111111 0.1465 25 H -1.6216 3.6573 0.0381 H 1 UNL1111111111 0.1361 26 H -2.2650 2.7103 1.3869 H 1 UNL1111111111 0.1565 27 H -4.0489 3.5631 -0.2444 H 1 UNL1111111111 0.1351 28 H -3.3588 2.5312 -1.4980 H 1 UNL1111111111 0.1386 29 H -5.1593 -1.1545 0.4678 H 1 UNL1111111111 0.1603 30 H -4.4671 -1.1497 -1.1699 H 1 UNL1111111111 0.1565 31 H -3.6366 -1.9866 0.1534 H 1 UNL1111111111 0.1679 32 H -1.0331 -1.0624 -1.3898 H 1 UNL1111111111 0.1588 33 H 0.7252 0.7249 0.5262 H 1 UNL1111111111 0.1539 34 H 0.5555 2.4743 0.7544 H 1 UNL1111111111 0.1450 35 H -0.2584 1.3474 1.8528 H 1 UNL1111111111 0.1606 36 H -0.3851 2.6371 -1.7814 H 1 UNL1111111111 0.1476 37 H 0.0004 0.9144 -1.8196 H 1 UNL1111111111 0.1481 38 H -1.6229 1.4661 -2.2516 H 1 UNL1111111111 0.1483 39 H -1.0613 -1.8932 1.6062 H 1 UNL1111111111 0.1768 40 H -1.4007 -4.6156 0.8412 H 1 UNL1111111111 0.1633 41 H -1.5594 -4.2714 -0.8881 H 1 UNL1111111111 0.1605 42 H -0.1953 -5.2333 -0.2983 H 1 UNL1111111111 0.1544 43 H 1.8562 -3.8740 -0.4501 H 1 UNL1111111111 0.1637 44 H 1.9494 -1.3644 1.0936 H 1 UNL1111111111 0.1618 45 H 2.7134 -1.5449 -1.9137 H 1 UNL1111111111 0.1626 46 H 3.8462 1.6898 -2.0917 H 1 UNL1111111111 0.1635 47 H 2.3906 2.0012 -1.1236 H 1 UNL1111111111 0.1716 48 H 2.3400 0.8524 -2.4618 H 1 UNL1111111111 0.1616 49 H 4.5119 -0.5443 0.9644 H 1 UNL1111111111 0.1849 50 H 4.5379 2.4732 0.1834 H 1 UNL1111111111 0.1015 @BOND 1 1 3 1 2 1 4 1 3 2 22 2 4 3 4 1 5 3 5 1 6 3 10 1 7 4 6 1 8 4 9 1 9 5 7 1 10 5 11 1 11 5 12 1 12 6 8 1 13 6 23 1 14 6 24 1 15 7 8 1 16 7 25 1 17 7 26 1 18 8 27 1 19 8 28 1 20 9 29 1 21 9 30 1 22 9 31 1 23 10 13 2 24 10 32 1 25 11 33 1 26 11 34 1 27 11 35 1 28 12 36 1 29 12 37 1 30 12 38 1 31 13 14 1 32 13 39 1 33 14 15 1 34 14 16 2 35 15 40 1 36 15 41 1 37 15 42 1 38 16 17 1 39 16 43 1 40 17 18 2 41 17 44 1 42 18 19 1 43 18 45 1 44 19 20 1 45 19 21 2 46 20 46 1 47 20 47 1 48 20 48 1 49 21 22 1 50 21 49 1 51 22 50 1