GQC CCTOOLS-0919241041 55 58 0 0 0 0 0 0 0 0999 V2000 -2.8330 1.4450 -0.1290 C 0 0 0 0 0 -4.0180 -1.2050 0.2660 C 0 0 0 0 0 -0.0670 1.4890 -0.7890 C 0 0 0 0 0 3.5230 0.8200 -0.2010 C 0 0 0 0 0 4.4610 -0.2090 -0.2370 C 0 0 0 0 0 5.7780 0.0890 0.0750 C 0 0 0 0 0 -9.7040 -0.0820 1.6170 C 0 0 0 0 0 -8.6020 -0.2890 0.6090 C 0 0 0 0 0 -7.2900 -0.0260 0.9560 C 0 0 0 0 0 -6.2800 -0.2160 0.0320 C 0 0 0 0 0 -6.5820 -0.6690 -1.2390 C 0 0 0 0 0 -7.8930 -0.9320 -1.5850 C 0 0 0 0 0 -8.9030 -0.7480 -0.6590 C 0 0 0 0 0 -4.8490 0.0710 0.4100 C 0 0 0 0 0 -4.2860 1.1530 -0.5130 C 0 0 0 0 0 -2.0020 0.1680 -0.2730 C 0 0 0 0 0 -2.5660 -0.9140 0.6500 C 0 0 0 0 0 -0.6080 0.4480 0.0950 N 0 3 0 0 0 1.3790 1.7940 -0.3940 C 0 0 0 0 0 2.1830 0.5680 -0.5030 N 0 0 0 0 0 1.6390 -0.4910 0.3590 C 0 0 0 0 0 0.1900 -0.7770 -0.0430 C 0 0 0 0 0 6.1150 1.3880 0.4110 C 0 0 0 0 0 5.2020 2.3390 0.4370 N 0 0 0 0 0 3.9400 2.0990 0.1460 C 0 0 0 0 0 7.0980 -1.2650 0.0450 BR 0 0 0 0 0 -2.4320 2.2160 -0.7860 H 0 0 0 0 0 -2.7930 1.7900 0.9040 H 0 0 0 0 0 -4.4200 -1.9770 0.9240 H 0 0 0 0 0 -4.0590 -1.5510 -0.7670 H 0 0 0 0 0 -0.0960 1.1390 -1.8210 H 0 0 0 0 0 -0.6680 2.3930 -0.6960 H 0 0 0 0 0 4.1700 -1.2150 -0.5030 H 0 0 0 0 0 -9.8560 -1.0010 2.1830 H 0 0 0 0 0 -9.4270 0.7220 2.2980 H 0 0 0 0 0 -10.6250 0.1820 1.0980 H 0 0 0 0 0 -7.0540 0.3290 1.9480 H 0 0 0 0 0 -5.7920 -0.8180 -1.9610 H 0 0 0 0 0 -8.1290 -1.2860 -2.5780 H 0 0 0 0 0 -9.9280 -0.9580 -0.9280 H 0 0 0 0 0 -4.8090 0.4170 1.4430 H 0 0 0 0 0 -4.8780 2.0630 -0.4100 H 0 0 0 0 0 -4.3260 0.8080 -1.5460 H 0 0 0 0 0 -2.0430 -0.1770 -1.3060 H 0 0 0 0 0 -2.5250 -0.5680 1.6830 H 0 0 0 0 0 -1.9740 -1.8230 0.5470 H 0 0 0 0 0 -0.5700 0.7670 1.0520 H 0 0 0 0 0 1.7850 2.5550 -1.0600 H 0 0 0 0 0 1.4070 2.1570 0.6330 H 0 0 0 0 0 2.2340 -1.3970 0.2420 H 0 0 0 0 0 1.6710 -0.1660 1.3990 H 0 0 0 0 0 -0.2200 -1.5530 0.6050 H 0 0 0 0 0 0.1600 -1.1160 -1.0780 H 0 0 0 0 0 7.1400 1.6260 0.6560 H 0 0 0 0 0 3.2210 2.9040 0.1770 H 0 0 0 0 0 1 16 1 0 0 0 1 27 1 0 0 0 1 28 1 0 0 0 2 17 1 0 0 0 2 29 1 0 0 0 2 30 1 0 0 0 3 19 1 0 0 0 3 31 1 0 0 0 3 32 1 0 0 0 4 25 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 5 33 1 0 0 0 6 23 1 0 0 0 6 26 1 0 0 0 7 8 1 0 0 0 7 34 1 0 0 0 7 35 1 0 0 0 7 36 1 0 0 0 8 13 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 9 37 1 0 0 0 10 11 1 0 0 0 10 14 1 0 0 0 11 38 1 0 0 0 12 11 2 0 0 0 12 39 1 0 0 0 13 12 1 0 0 0 13 40 1 0 0 0 14 2 1 0 0 0 14 15 1 0 0 0 14 41 1 0 0 0 15 1 1 0 0 0 15 42 1 0 0 0 15 43 1 0 0 0 16 18 1 0 0 0 16 44 1 0 0 0 17 16 1 0 0 0 17 45 1 0 0 0 17 46 1 0 0 0 18 22 1 0 0 0 18 3 1 0 0 0 18 47 1 0 0 0 19 20 1 0 0 0 19 48 1 0 0 0 19 49 1 0 0 0 20 4 1 0 0 0 21 20 1 0 0 0 21 50 1 0 0 0 21 51 1 0 0 0 22 21 1 0 0 0 22 52 1 0 0 0 22 53 1 0 0 0 23 54 1 0 0 0 24 23 2 0 0 0 25 24 1 0 0 0 25 55 1 0 0 0 M CHG 1 18 1 M END $$$$