@MOLECULE ***** 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.9040 2.0040 -0.0770 C.2 1 UNL1 0.3246 2 C -4.7670 -0.7730 0.0280 C.ar 1 UNL1 0.0761 3 C 2.3180 1.7380 0.3840 C.ar 1 UNL1 0.1089 4 C 3.8350 -0.5780 0.3470 C.ar 1 UNL1 -0.0146 5 C -2.9310 0.8130 -0.3880 C.ar 1 UNL1 0.1666 6 C 4.0210 0.3960 -0.6320 C.ar 1 UNL1 -0.0381 7 C 3.2620 1.5490 -0.6090 C.ar 1 UNL1 -0.0313 8 C -3.7940 -0.7560 0.9410 C.ar 1 UNL1 0.0509 9 C 2.8870 -0.3780 1.3490 C.ar 1 UNL1 -0.0519 10 C 2.1330 0.7780 1.3620 C.ar 1 UNL1 -0.0345 11 C 4.6470 -1.8190 0.3260 C.ar 1 UNL1 -0.0176 12 C 5.0440 0.1870 -1.7190 C.3 1 UNL1 -0.0299 13 C 6.0380 -1.7450 0.3480 C.ar 1 UNL1 -0.0540 14 C 4.0210 -3.0640 0.2910 C.ar 1 UNL1 -0.0540 15 C 4.4690 -0.7430 -2.7890 C.3 1 UNL1 -0.0612 16 C 6.7880 -2.9040 0.3290 C.ar 1 UNL1 -0.0612 17 C 4.7810 -4.2150 0.2730 C.ar 1 UNL1 -0.0612 18 C 6.1620 -4.1360 0.2880 C.ar 1 UNL1 -0.0617 19 N -0.0070 2.9220 -0.4900 N.am 1 UNL1 -0.1690 20 N -2.0090 1.7640 -0.8100 N.am 1 UNL1 -0.2472 21 N -2.8230 0.1040 0.6920 N.ar 1 UNL1 -0.2318 22 O 0.9200 3.3860 1.7500 O.2 1 UNL1 -0.1499 23 O 2.1000 4.1920 -0.3000 O.2 1 UNL1 -0.1499 24 O -0.7130 1.3890 0.9540 O.2 1 UNL1 -0.2508 25 S 1.3540 3.2130 0.4080 S.O2 1 UNL1 0.0756 26 S -4.3700 0.4090 -1.2170 S.2 1 UNL1 -0.0452 27 BR -6.3010 -1.8790 0.0600 Br 1 UNL1 -0.0409 28 H 3.4050 2.3040 -1.3680 H 1 UNL1 0.0640 29 H -3.8000 -1.3930 1.8130 H 1 UNL1 0.0847 30 H 2.7410 -1.1280 2.1130 H 1 UNL1 0.0624 31 H 1.3980 0.9330 2.1380 H 1 UNL1 0.0637 32 H 5.2960 1.1470 -2.1700 H 1 UNL1 0.0311 33 H 5.9410 -0.2610 -1.2920 H 1 UNL1 0.0311 34 H 6.5280 -0.7840 0.3790 H 1 UNL1 0.0624 35 H 2.9430 -3.1270 0.2800 H 1 UNL1 0.0624 36 H 4.2800 -1.7240 -2.3540 H 1 UNL1 0.0233 37 H 3.5350 -0.3280 -3.1680 H 1 UNL1 0.0233 38 H 5.1820 -0.8390 -3.6080 H 1 UNL1 0.0233 39 H 7.8670 -2.8470 0.3450 H 1 UNL1 0.0618 40 H 4.2970 -5.1810 0.2450 H 1 UNL1 0.0618 41 H 6.7530 -5.0400 0.2720 H 1 UNL1 0.0618 42 H -0.1600 3.4130 -1.3120 H 1 UNL1 0.1781 43 H -2.1610 2.2550 -1.6330 H 1 UNL1 0.1583 @BOND 1 17 14 ar 2 17 18 ar 3 14 11 ar 4 9 10 ar 5 9 4 ar 6 18 16 ar 7 10 3 ar 8 11 4 1 9 11 13 ar 10 21 5 ar 11 21 8 ar 12 20 5 1 13 20 1 am 14 4 6 ar 15 19 1 am 16 19 25 1 17 16 13 ar 18 23 25 2 19 5 26 ar 20 8 2 ar 21 3 25 1 22 3 7 ar 23 1 24 2 24 25 22 2 25 6 7 ar 26 6 12 1 27 2 26 ar 28 2 27 1 29 12 15 1 30 7 28 1 31 8 29 1 32 9 30 1 33 10 31 1 34 12 32 1 35 12 33 1 36 13 34 1 37 14 35 1 38 15 36 1 39 15 37 1 40 15 38 1 41 16 39 1 42 17 40 1 43 18 41 1 44 19 42 1 45 20 43 1