@MOLECULE BRY 30 33 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.2160 0.0850 -3.0760 C.ar 1 UNL1 0.0447 2 C -0.7890 0.1650 -1.6670 C.2 1 UNL1 0.2095 3 C -0.0590 -0.1110 -3.8450 C.ar 1 UNL1 0.0424 4 N 1.0500 -0.1530 -3.0140 N.pl3 1 UNL1 -0.3103 5 C -0.1780 -0.2280 -5.2260 C.ar 1 UNL1 -0.0398 6 C -1.4180 -0.1500 -5.8250 C.ar 1 UNL1 -0.0600 7 C -2.5600 0.0440 -5.0640 C.ar 1 UNL1 -0.0610 8 C -2.4660 0.1620 -3.6930 C.ar 1 UNL1 -0.0491 9 C 0.6830 0.0090 -1.6980 C.2 1 UNL1 0.0922 10 C 1.5300 0.0190 -0.6090 C.2 1 UNL1 0.0708 11 C 3.0100 0.0450 -0.6180 C.2 1 UNL1 0.2508 12 N 3.4300 0.0470 0.6580 N.am 1 UNL1 -0.2809 13 C 2.3580 0.0230 1.5440 C.ar 1 UNL1 0.0417 14 C 1.1570 0.0050 0.8190 C.ar 1 UNL1 0.0113 15 C 2.3080 0.0170 2.9330 C.ar 1 UNL1 -0.0388 16 C 1.0910 -0.0070 3.5840 C.ar 1 UNL1 -0.0460 17 C -0.0930 -0.0240 2.8650 C.ar 1 UNL1 0.0186 18 C -0.0660 -0.0230 1.4850 C.ar 1 UNL1 -0.0380 19 O 3.7200 0.0620 -1.6050 O.2 1 UNL1 -0.2698 20 O -1.4940 0.3260 -0.6890 O.2 1 UNL1 -0.2852 21 BR -1.7500 -0.0580 3.7770 Br 1 UNL1 -0.0503 22 H 1.9620 -0.2800 -3.3200 H 1 UNL1 0.1523 23 H 0.7030 -0.3790 -5.8320 H 1 UNL1 0.0636 24 H -1.5010 -0.2420 -6.8980 H 1 UNL1 0.0618 25 H -3.5250 0.1040 -5.5450 H 1 UNL1 0.0618 26 H -3.3550 0.3140 -3.1000 H 1 UNL1 0.0625 27 H 4.3620 0.0620 0.9280 H 1 UNL1 0.1552 28 H 3.2240 0.0300 3.5050 H 1 UNL1 0.0637 29 H 1.0610 -0.0110 4.6640 H 1 UNL1 0.0629 30 H -0.9880 -0.0430 0.9240 H 1 UNL1 0.0635 @BOND 1 1 2 1 2 1 3 ar 3 1 8 ar 4 2 9 1 5 2 20 2 6 3 4 1 7 3 5 ar 8 4 9 1 9 4 22 1 10 5 6 ar 11 5 23 1 12 6 7 ar 13 6 24 1 14 7 8 ar 15 7 25 1 16 8 26 1 17 9 10 2 18 10 11 1 19 10 14 1 20 11 12 am 21 11 19 2 22 12 13 1 23 12 27 1 24 13 14 ar 25 13 15 ar 26 14 18 ar 27 15 16 ar 28 15 28 1 29 16 17 ar 30 16 29 1 31 17 18 ar 32 17 21 1 33 18 30 1