@MOLECULE 2-(1,5-dimethyl-4-hexenyl)-3,6-dihydroxy-5-methylbenzo-1,4-quinone 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5770 -2.3176 -1.2702 O.2 1 UNL1111111111 -0.3888 2 O -0.1482 0.6262 2.0412 O.2 1 UNL1111111111 -0.4406 3 O 1.6519 2.4726 1.3785 O.2 1 UNL1111111111 -0.4177 4 O 3.3201 -0.4677 -1.8669 O.2 1 UNL1111111111 -0.3389 5 C -0.4612 -1.9867 0.7962 C.3 1 UNL1111111111 -0.0313 6 C -1.8830 -1.4294 0.5951 C.3 1 UNL1111111111 -0.2793 7 C 0.5783 -0.9680 0.4270 C.2 1 UNL1111111111 -0.3159 8 C -2.1498 -1.0506 -0.8699 C.3 1 UNL1111111111 -0.2620 9 C -0.2696 -2.4296 2.2525 C.3 1 UNL1111111111 -0.4545 10 C 1.4863 -1.1941 -0.5508 C.2 1 UNL1111111111 0.2013 11 C 0.5972 0.3012 1.1431 C.2 1 UNL1111111111 0.4437 12 C -3.4809 -0.3796 -0.9775 C.2 1 UNL1111111111 -0.2434 13 C 1.6437 1.2988 0.7186 C.2 1 UNL1111111111 0.1500 14 C 2.5407 1.0794 -0.2625 C.2 1 UNL1111111111 -0.1895 15 C 2.5453 -0.2012 -0.9868 C.2 1 UNL1111111111 0.4200 16 C -3.6766 0.9307 -0.7754 C.2 1 UNL1111111111 0.0632 17 C 3.5594 2.0740 -0.6743 C.3 1 UNL1111111111 -0.4039 18 C -5.0376 1.5382 -0.8802 C.3 1 UNL1111111111 -0.4582 19 C -2.5764 1.8798 -0.4323 C.3 1 UNL1111111111 -0.4592 20 H -0.3563 -2.8952 0.1419 H 1 UNL1111111111 0.1123 21 H -2.0406 -0.5469 1.2485 H 1 UNL1111111111 0.1658 22 H -2.6279 -2.1740 0.9308 H 1 UNL1111111111 0.1407 23 H -1.3439 -0.3885 -1.2471 H 1 UNL1111111111 0.1447 24 H -2.1175 -1.9514 -1.5126 H 1 UNL1111111111 0.1328 25 H 0.7476 -2.7907 2.4339 H 1 UNL1111111111 0.1462 26 H -0.4515 -1.5983 2.9487 H 1 UNL1111111111 0.1690 27 H -0.9641 -3.2321 2.5205 H 1 UNL1111111111 0.1442 28 H -4.3059 -1.0429 -1.2221 H 1 UNL1111111111 0.1448 29 H 3.5854 2.9515 -0.0101 H 1 UNL1111111111 0.1653 30 H 3.3697 2.4421 -1.6957 H 1 UNL1111111111 0.1633 31 H 4.5710 1.6365 -0.6817 H 1 UNL1111111111 0.1638 32 H 0.8815 -2.9952 -1.0069 H 1 UNL1111111111 0.3292 33 H -5.3689 1.9309 0.0923 H 1 UNL1111111111 0.1573 34 H -5.7984 0.8222 -1.2162 H 1 UNL1111111111 0.1508 35 H -5.0453 2.3762 -1.5913 H 1 UNL1111111111 0.1556 36 H -1.8491 1.9560 -1.2538 H 1 UNL1111111111 0.1567 37 H -2.0257 1.5459 0.4617 H 1 UNL1111111111 0.1638 38 H -2.9383 2.8937 -0.2227 H 1 UNL1111111111 0.1504 39 H 0.9347 2.4855 2.0830 H 1 UNL1111111111 0.3484 @BOND 1 1 10 1 2 1 32 1 3 2 11 2 4 3 13 1 5 3 39 1 6 4 15 2 7 5 6 1 8 5 7 1 9 5 9 1 10 5 20 1 11 6 8 1 12 6 21 1 13 6 22 1 14 7 10 2 15 7 11 1 16 8 12 1 17 8 23 1 18 8 24 1 19 9 25 1 20 9 26 1 21 9 27 1 22 10 15 1 23 11 13 1 24 12 16 2 25 12 28 1 26 13 14 2 27 14 15 1 28 14 17 1 29 16 18 1 30 16 19 1 31 17 29 1 32 17 30 1 33 17 31 1 34 18 33 1 35 18 34 1 36 18 35 1 37 19 36 1 38 19 37 1 39 19 38 1