@MOLECULE ***** 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 C1 3.6780 -0.8360 0.0510 C.ar 1 <1> 0.0037 2 C2 4.3900 -3.1160 0.2170 C.ar 1 <1> -0.0613 3 C3 3.3740 -2.1810 0.1470 C.ar 1 <1> -0.0543 4 C4 -8.4570 -0.3320 -0.1770 C.2 1 <1> 0.3217 5 C5 -7.2320 0.5430 -0.1060 C.3 1 <1> 0.1032 6 C6 -5.9810 -0.3350 -0.0380 C.3 1 <1> -0.0273 7 C7 -4.7340 0.5490 -0.0920 C.3 1 <1> -0.0497 8 C8 -3.4830 -0.3300 -0.0250 C.3 1 <1> -0.0372 9 C9 -2.2350 0.5540 -0.0790 C.3 1 <1> 0.0147 10 C10 0.1850 0.2790 -0.0460 C.2 1 <1> 0.4006 11 C11 2.5700 0.1830 -0.0260 C.3 1 <1> 0.1201 12 C12 4.9980 -0.4250 0.0300 C.ar 1 <1> 0.0243 13 C13 6.0150 -1.3610 0.1000 C.ar 1 <1> -0.0474 14 C14 5.7100 -2.7060 0.1910 C.ar 1 <1> -0.0607 15 N1 -7.3030 1.3880 1.0940 N.3 1 <1> -0.3184 16 N2 -1.0380 -0.2870 -0.0140 N.am 1 <1> -0.2811 17 O1 -9.1110 -0.5380 0.8180 O.2 1 <1> -0.2493 18 O2 -8.8220 -0.8830 -1.3450 O.3 1 <1> -0.4795 19 O3 0.2940 1.4860 -0.1280 O.2 1 <1> -0.2265 20 O4 1.2860 -0.4940 0.0140 O.3 1 <1> -0.4456 21 Br1 5.4140 1.4150 -0.0950 Br 1 <1> -0.0499 22 H1 4.1530 -4.1670 0.2930 H 1 <1> 0.0618 23 H2 2.3430 -2.5020 0.1680 H 1 <1> 0.0622 24 H3 -7.1850 1.1750 -0.9930 H 1 <1> 0.0574 25 H4 -5.9850 -0.9020 0.8930 H 1 <1> 0.0286 26 H5 -5.9750 -1.0240 -0.8830 H 1 <1> 0.0286 27 H6 -4.7300 1.1150 -1.0230 H 1 <1> 0.0266 28 H7 -4.7400 1.2370 0.7520 H 1 <1> 0.0266 29 H8 -3.4870 -0.8960 0.9060 H 1 <1> 0.0280 30 H9 -3.4770 -1.0190 -0.8690 H 1 <1> 0.0280 31 H10 -2.2320 1.1210 -1.0100 H 1 <1> 0.0463 32 H11 -2.2420 1.2430 0.7660 H 1 <1> 0.0463 33 H12 2.6460 0.8660 0.8200 H 1 <1> 0.0750 34 H13 2.6560 0.7440 -0.9560 H 1 <1> 0.0750 35 H14 7.0460 -1.0400 0.0830 H 1 <1> 0.0629 36 H15 6.5040 -3.4370 0.2450 H 1 <1> 0.0618 37 H16 -7.3470 0.8250 1.9300 H 1 <1> 0.1190 38 H17 -6.5250 2.0290 1.1300 H 1 <1> 0.1190 39 H18 -1.1250 -1.2510 0.0520 H 1 <1> 0.1520 40 H19 -9.6150 -1.4360 -1.3410 H 1 <1> 0.2951 @BOND 1 2 3 ar 2 2 14 ar 3 3 1 ar 4 14 13 ar 5 1 11 1 6 1 12 ar 7 13 12 ar 8 11 20 1 9 12 21 1 10 20 10 1 11 19 10 2 12 10 16 am 13 9 16 1 14 9 8 1 15 8 7 1 16 7 6 1 17 6 5 1 18 17 4 2 19 5 4 1 20 5 15 1 21 4 18 1 22 2 22 1 23 3 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 7 27 1 28 7 28 1 29 8 29 1 30 8 30 1 31 9 31 1 32 9 32 1 33 11 33 1 34 11 34 1 35 13 35 1 36 14 36 1 37 15 37 1 38 15 38 1 39 16 39 1 40 18 40 1