@MOLECULE tralocythrin 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 BR 3.3137 0.6962 -1.2941 Br 1 UNL1111111111 -0.0588 2 BR 2.4683 -2.0998 0.5049 Br 1 UNL1111111111 -0.0238 3 CL 0.1298 -0.5056 1.6174 Cl 1 UNL1111111111 -0.0703 4 CL 0.2712 -0.8251 -1.1946 Cl 1 UNL1111111111 -0.0403 5 O -1.5308 2.1538 0.3834 O.3 1 UNL1111111111 -0.4117 6 O -1.4152 3.9279 1.7622 O.2 1 UNL1111111111 -0.4653 7 O -2.7094 -2.3420 -1.3976 O.3 1 UNL1111111111 -0.3125 8 N -4.0843 1.7166 2.5488 N.1 1 UNL1111111111 -0.2080 9 C 1.5799 3.3337 0.3158 C.3 1 UNL1111111111 0.1125 10 C 1.1339 1.9094 -0.0031 C.3 1 UNL1111111111 -0.2045 11 C 0.5613 2.6314 1.2084 C.3 1 UNL1111111111 -0.2921 12 C 2.0261 0.7238 0.1974 C.3 1 UNL1111111111 -0.1254 13 C 2.9421 3.6018 0.8948 C.3 1 UNL1111111111 -0.4534 14 C 1.1103 4.4209 -0.6148 C.3 1 UNL1111111111 -0.4549 15 C -0.8626 3.0311 1.1890 C.2 1 UNL1111111111 0.6144 16 C 1.2473 -0.5763 0.2453 C.3 1 UNL1111111111 0.0805 17 C -2.9488 2.2930 0.2637 C.3 1 UNL1111111111 0.1415 18 C -3.2996 1.2376 -0.7574 C.ar 1 UNL1111111111 0.0155 19 C -3.5811 1.9818 1.5437 C.1 1 UNL1111111111 0.0678 20 C -2.8029 -0.0476 -0.5479 C.ar 1 UNL1111111111 -0.2557 21 C -4.0842 1.5339 -1.8665 C.ar 1 UNL1111111111 -0.2064 22 C -3.1287 -1.0439 -1.4621 C.ar 1 UNL1111111111 0.2522 23 C -4.3889 0.5188 -2.7789 C.ar 1 UNL1111111111 -0.0853 24 C -3.9214 -0.7751 -2.5881 C.ar 1 UNL1111111111 -0.2197 25 C -2.0551 -2.7768 -0.2613 C.ar 1 UNL1111111111 0.2139 26 C -2.5344 -2.5506 1.0262 C.ar 1 UNL1111111111 -0.2402 27 C -0.9308 -3.5641 -0.5176 C.ar 1 UNL1111111111 -0.2096 28 C -1.8228 -3.0874 2.0972 C.ar 1 UNL1111111111 -0.0920 29 C -0.2533 -4.1126 0.5668 C.ar 1 UNL1111111111 -0.1062 30 C -0.6837 -3.8582 1.8698 C.ar 1 UNL1111111111 -0.1845 31 H 0.4661 1.8053 -0.8809 H 1 UNL1111111111 0.2044 32 H 0.8742 2.3328 2.2211 H 1 UNL1111111111 0.2019 33 H 2.6605 0.8351 1.1138 H 1 UNL1111111111 0.1901 34 H 3.7087 3.6410 0.1068 H 1 UNL1111111111 0.1666 35 H 3.2633 2.8487 1.6236 H 1 UNL1111111111 0.1505 36 H 2.9637 4.5724 1.4131 H 1 UNL1111111111 0.1654 37 H 1.8338 4.5885 -1.4251 H 1 UNL1111111111 0.1628 38 H 0.9852 5.3748 -0.0819 H 1 UNL1111111111 0.1657 39 H 0.1477 4.1906 -1.0913 H 1 UNL1111111111 0.1596 40 H -3.1848 3.3366 -0.0663 H 1 UNL1111111111 0.1729 41 H -2.1730 -0.2478 0.3167 H 1 UNL1111111111 0.1913 42 H -4.4632 2.5389 -2.0299 H 1 UNL1111111111 0.1571 43 H -5.0038 0.7465 -3.6496 H 1 UNL1111111111 0.1513 44 H -4.1559 -1.5742 -3.2875 H 1 UNL1111111111 0.1742 45 H -3.4431 -1.9767 1.1944 H 1 UNL1111111111 0.1744 46 H -0.6048 -3.7390 -1.5402 H 1 UNL1111111111 0.1741 47 H -2.1628 -2.9030 3.1161 H 1 UNL1111111111 0.1555 48 H 0.6186 -4.7424 0.3959 H 1 UNL1111111111 0.1518 49 H -0.1303 -4.2683 2.7113 H 1 UNL1111111111 0.1525 @BOND 1 1 12 1 2 2 16 1 3 3 16 1 4 4 16 1 5 5 15 1 6 5 17 1 7 6 15 2 8 7 22 1 9 7 25 1 10 8 19 3 11 9 10 1 12 9 11 1 13 9 13 1 14 9 14 1 15 10 11 1 16 10 12 1 17 10 31 1 18 11 15 1 19 11 32 1 20 12 16 1 21 12 33 1 22 13 34 1 23 13 35 1 24 13 36 1 25 14 37 1 26 14 38 1 27 14 39 1 28 17 18 1 29 17 19 1 30 17 40 1 31 18 20 ar 32 18 21 ar 33 20 22 ar 34 20 41 1 35 21 23 ar 36 21 42 1 37 22 24 ar 38 23 24 ar 39 23 43 1 40 24 44 1 41 25 26 ar 42 25 27 ar 43 26 28 ar 44 26 45 1 45 27 29 ar 46 27 46 1 47 28 30 ar 48 28 47 1 49 29 30 ar 50 29 48 1 51 30 49 1