@MOLECULE ochtodene 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 BR -3.4754 -1.2396 0.3134 Br 1 UNL1111111111 -0.1396 2 BR 3.9102 -1.0855 -0.2154 Br 1 UNL1111111111 -0.0977 3 CL -0.7271 2.7900 -0.5208 Cl 1 UNL1111111111 -0.1567 4 CL 0.2871 1.3466 2.2198 Cl 1 UNL1111111111 -0.1621 5 C -1.4810 0.2532 -1.2107 C.3 1 UNL1111111111 0.0667 6 C -1.8712 -0.0865 0.2365 C.3 1 UNL1111111111 -0.0804 7 C -0.2494 1.1852 -1.1563 C.3 1 UNL1111111111 -0.0554 8 C -0.7491 -0.8037 0.9716 C.3 1 UNL1111111111 -0.3222 9 C 0.5141 0.0444 1.0076 C.3 1 UNL1111111111 -0.0208 10 C 0.8596 0.7376 -0.2634 C.2 1 UNL1111111111 -0.0686 11 C -2.6317 0.9601 -1.9374 C.3 1 UNL1111111111 -0.4647 12 C -1.0636 -0.9813 -2.0242 C.3 1 UNL1111111111 -0.4654 13 C 2.1258 1.0406 -0.5989 C.2 1 UNL1111111111 -0.1340 14 C 3.3168 0.7357 0.2206 C.3 1 UNL1111111111 -0.2468 15 H -2.1856 0.8337 0.7823 H 1 UNL1111111111 0.1817 16 H 0.1031 1.3926 -2.1942 H 1 UNL1111111111 0.1650 17 H -0.5168 -1.7810 0.4902 H 1 UNL1111111111 0.1750 18 H -1.0589 -1.0703 2.0080 H 1 UNL1111111111 0.1804 19 H 1.3589 -0.5645 1.4091 H 1 UNL1111111111 0.1673 20 H -3.3996 0.2488 -2.2682 H 1 UNL1111111111 0.1642 21 H -3.1385 1.6995 -1.3037 H 1 UNL1111111111 0.1661 22 H -2.2850 1.4868 -2.8343 H 1 UNL1111111111 0.1549 23 H -0.1597 -1.4555 -1.6250 H 1 UNL1111111111 0.1540 24 H -1.8511 -1.7444 -2.0454 H 1 UNL1111111111 0.1674 25 H -0.8578 -0.7176 -3.0689 H 1 UNL1111111111 0.1546 26 H 2.3427 1.5567 -1.5407 H 1 UNL1111111111 0.1667 27 H 4.1695 1.4046 0.0049 H 1 UNL1111111111 0.1733 28 H 3.1395 0.7671 1.3098 H 1 UNL1111111111 0.1770 @BOND 1 1 6 1 2 2 14 1 3 3 7 1 4 4 9 1 5 5 6 1 6 5 7 1 7 5 11 1 8 5 12 1 9 6 8 1 10 6 15 1 11 7 10 1 12 7 16 1 13 8 9 1 14 8 17 1 15 8 18 1 16 9 10 1 17 9 19 1 18 10 13 2 19 11 20 1 20 11 21 1 21 11 22 1 22 12 23 1 23 12 24 1 24 12 25 1 25 13 14 1 26 13 26 1 27 14 27 1 28 14 28 1