@MOLECULE (E)-2,2,7-trimethyloct-4-ene 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0226 0.1904 -0.3526 C.3 1 UNL11111111 0.3938 2 C -4.4283 0.1372 0.2580 C.3 1 UNL11111111 -1.0458 3 C -2.3480 1.5225 -0.0068 C.3 1 UNL11111111 -0.9324 4 C -2.1865 -0.9972 0.1709 C.3 1 UNL11111111 -0.6980 5 C -0.8334 -1.0177 -0.4618 C.2 1 UNL11111111 -0.2141 6 C 0.2968 -1.0517 0.2500 C.2 1 UNL11111111 -0.0688 7 C 1.6515 -1.0631 -0.3794 C.3 1 UNL11111111 -0.8028 8 C 2.4956 0.1753 0.0176 C.3 1 UNL11111111 0.8408 9 C 2.7642 0.1803 1.5300 C.3 1 UNL11111111 -0.9923 10 C 3.8388 0.1061 -0.7317 C.3 1 UNL11111111 -1.0115 11 C 1.7592 1.4627 -0.3805 C.3 1 UNL11111111 -0.9734 12 H -3.1069 0.1074 -1.4628 H 1 UNL11111111 0.0956 13 H -5.0470 0.9661 -0.1020 H 1 UNL11111111 0.2695 14 H -4.9425 -0.7938 -0.0008 H 1 UNL11111111 0.2770 15 H -4.3940 0.2047 1.3507 H 1 UNL11111111 0.3083 16 H -2.9271 2.3720 -0.3818 H 1 UNL11111111 0.2364 17 H -2.2361 1.6465 1.0752 H 1 UNL11111111 0.2866 18 H -1.3454 1.5815 -0.4479 H 1 UNL11111111 0.2410 19 H -2.1180 -0.9455 1.2748 H 1 UNL11111111 0.2692 20 H -2.7133 -1.9491 -0.0480 H 1 UNL11111111 0.2594 21 H -0.8343 -0.9966 -1.5493 H 1 UNL11111111 0.2037 22 H 0.2951 -1.0730 1.3377 H 1 UNL11111111 0.1980 23 H 2.1892 -1.9870 -0.0826 H 1 UNL11111111 0.2761 24 H 1.5772 -1.1084 -1.4838 H 1 UNL11111111 0.2439 25 H 3.2110 -0.7630 1.8590 H 1 UNL11111111 0.2753 26 H 3.4491 0.9881 1.8080 H 1 UNL11111111 0.2561 27 H 1.8407 0.3265 2.1001 H 1 UNL11111111 0.2693 28 H 3.6920 0.0908 -1.8161 H 1 UNL11111111 0.2497 29 H 4.4658 0.9731 -0.4991 H 1 UNL11111111 0.2614 30 H 4.4029 -0.7909 -0.4587 H 1 UNL11111111 0.2702 31 H 0.7963 1.5419 0.1383 H 1 UNL11111111 0.2643 32 H 2.3452 2.3520 -0.1299 H 1 UNL11111111 0.2455 33 H 1.5537 1.4892 -1.4551 H 1 UNL11111111 0.2478 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 6 22 1 22 7 23 1 23 7 24 1 24 9 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1