@MOLECULE dansylfluoride 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.8595 0.1490 -0.1088 S.O2 1 UNL1111111111 2.3498 2 F 3.0239 0.5310 1.3929 F 1 UNL1111111111 -0.4333 3 O 3.8203 -0.8932 -0.3381 O.2 1 UNL1111111111 -0.8836 4 O 2.9162 1.3957 -0.8146 O.2 1 UNL1111111111 -0.8738 5 N -3.6170 -0.4233 0.0311 N.pl3 1 UNL1111111111 -0.4147 6 C -1.1790 -0.4255 -0.0339 C.ar 1 UNL1111111111 -0.0768 7 C 0.0695 0.2468 -0.0748 C.ar 1 UNL1111111111 0.0834 8 C -2.3893 0.3383 -0.0016 C.ar 1 UNL1111111111 0.1589 9 C 1.2556 -0.5433 -0.0966 C.ar 1 UNL1111111111 -0.4487 10 C -1.2221 -1.8455 -0.0348 C.ar 1 UNL1111111111 -0.0397 11 C 0.0664 1.6696 -0.0961 C.ar 1 UNL1111111111 -0.2022 12 C -2.3528 1.7136 -0.0098 C.ar 1 UNL1111111111 -0.2486 13 C 1.1825 -1.9190 -0.1015 C.ar 1 UNL1111111111 -0.0134 14 C -1.1078 2.3775 -0.0617 C.ar 1 UNL1111111111 -0.0938 15 C -0.0647 -2.5797 -0.0734 C.ar 1 UNL1111111111 -0.2267 16 C -4.4676 -0.1240 -1.1417 C.3 1 UNL1111111111 -0.2677 17 C -4.3424 -0.2104 1.3027 C.3 1 UNL1111111111 -0.2676 18 H -2.2017 -2.3367 -0.0069 H 1 UNL1111111111 0.1786 19 H 1.0075 2.2283 -0.1612 H 1 UNL1111111111 0.1993 20 H -3.2680 2.2999 0.0184 H 1 UNL1111111111 0.1615 21 H 2.0868 -2.5463 -0.1303 H 1 UNL1111111111 0.1788 22 H -1.0962 3.4686 -0.0796 H 1 UNL1111111111 0.1579 23 H -0.0922 -3.6673 -0.0801 H 1 UNL1111111111 0.1614 24 H -3.8817 -0.2845 -2.0630 H 1 UNL1111111111 0.1515 25 H -4.8744 0.8978 -1.1631 H 1 UNL1111111111 0.1261 26 H -5.3074 -0.8394 -1.1546 H 1 UNL1111111111 0.1530 27 H -4.7250 0.8115 1.4434 H 1 UNL1111111111 0.1267 28 H -3.6711 -0.4487 2.1455 H 1 UNL1111111111 0.1504 29 H -5.1902 -0.9151 1.3445 H 1 UNL1111111111 0.1533 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 9 1 5 5 8 1 6 5 16 1 7 5 17 1 8 6 7 ar 9 6 8 ar 10 6 10 ar 11 7 9 ar 12 7 11 ar 13 8 12 ar 14 9 13 ar 15 10 15 ar 16 10 18 1 17 11 14 ar 18 11 19 1 19 12 14 ar 20 12 20 1 21 13 15 ar 22 13 21 1 23 14 22 1 24 15 23 1 25 16 24 1 26 16 25 1 27 16 26 1 28 17 27 1 29 17 28 1 30 17 29 1