@MOLECULE dithiopyr 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.6317 1.3692 1.7779 S.3 1 UNL111111111 -0.0123 2 S 3.0614 0.9239 1.7103 S.3 1 UNL111111111 -0.0244 3 F -3.4758 -1.2303 -0.8611 F 1 UNL111111111 -0.1827 4 F -2.5251 -3.1105 -0.7846 F 1 UNL111111111 -0.1563 5 F -3.0287 -2.1081 1.0108 F 1 UNL111111111 -0.1793 6 F 2.9126 -2.4185 0.9371 F 1 UNL111111111 -0.1949 7 F 3.1489 -2.0858 -1.1188 F 1 UNL111111111 -0.1848 8 O -3.0507 1.3294 -0.8508 O.2 1 UNL111111111 -0.3645 9 O 3.4806 0.4797 -0.8777 O.2 1 UNL111111111 -0.3660 10 N -0.1226 -2.0051 -0.2399 N.ar 1 UNL111111111 -0.3271 11 C 0.4161 2.7717 -1.7343 C.3 1 UNL111111111 -0.0357 12 C 0.3370 2.2727 -0.2648 C.3 1 UNL111111111 -0.3367 13 C 0.1833 0.7931 -0.1581 C.ar 1 UNL111111111 0.1689 14 C -1.0900 0.1975 -0.1148 C.ar 1 UNL111111111 -0.1950 15 C 1.2962 -0.0628 -0.1168 C.ar 1 UNL111111111 -0.1898 16 C -0.8580 2.4493 -2.5132 C.3 1 UNL111111111 -0.4642 17 C 1.6364 2.2119 -2.4632 C.3 1 UNL111111111 -0.4668 18 C -1.1914 -1.1968 -0.1885 C.ar 1 UNL111111111 0.1131 19 C 1.0976 -1.4481 -0.1841 C.ar 1 UNL111111111 0.1246 20 C -2.3225 1.0043 0.0403 C.2 1 UNL111111111 0.3938 21 C 2.6836 0.4388 0.0130 C.2 1 UNL111111111 0.4006 22 C -2.5360 -1.9140 -0.2106 C.3 1 UNL111111111 0.5253 23 C 2.2299 -2.4736 -0.2196 C.3 1 UNL111111111 0.2665 24 C -4.2207 2.2427 1.7215 C.3 1 UNL111111111 -0.4900 25 C 4.8368 1.2885 1.6144 C.3 1 UNL111111111 -0.4849 26 H -0.4974 2.8072 0.2372 H 1 UNL111111111 0.1702 27 H 1.2419 2.6303 0.2710 H 1 UNL111111111 0.1728 28 H 0.5218 3.8871 -1.6822 H 1 UNL111111111 0.1356 29 H -1.7425 2.9196 -2.0680 H 1 UNL111111111 0.1538 30 H -1.0531 1.3717 -2.5646 H 1 UNL111111111 0.1554 31 H -0.7920 2.8088 -3.5473 H 1 UNL111111111 0.1521 32 H 1.6949 2.5959 -3.4892 H 1 UNL111111111 0.1537 33 H 2.5745 2.4845 -1.9669 H 1 UNL111111111 0.1515 34 H 1.6110 1.1181 -2.5379 H 1 UNL111111111 0.1568 35 H 1.8688 -3.5293 -0.4297 H 1 UNL111111111 0.1878 36 H -4.8835 1.8529 2.5050 H 1 UNL111111111 0.1764 37 H -4.7355 2.1101 0.7567 H 1 UNL111111111 0.1913 38 H -4.0859 3.3186 1.8807 H 1 UNL111111111 0.1694 39 H 5.1412 1.6115 0.6077 H 1 UNL111111111 0.1864 40 H 5.0834 2.0914 2.3194 H 1 UNL111111111 0.1732 41 H 5.4350 0.4038 1.8690 H 1 UNL111111111 0.1764 @BOND 1 1 20 1 2 1 24 1 3 2 21 1 4 2 25 1 5 3 22 1 6 4 22 1 7 5 22 1 8 6 23 1 9 7 23 1 10 8 20 2 11 9 21 2 12 10 18 ar 13 10 19 ar 14 11 12 1 15 11 16 1 16 11 17 1 17 11 28 1 18 12 13 1 19 12 26 1 20 12 27 1 21 13 14 ar 22 13 15 ar 23 14 18 ar 24 14 20 1 25 15 19 ar 26 15 21 1 27 16 29 1 28 16 30 1 29 16 31 1 30 17 32 1 31 17 33 1 32 17 34 1 33 18 22 1 34 19 23 1 35 23 35 1 36 24 36 1 37 24 37 1 38 24 38 1 39 25 39 1 40 25 40 1 41 25 41 1