BBJ CCTOOLS-0919241032 38 39 0 0 0 0 0 0 0 0999 V2000 4.1600 -2.3660 -0.7110 C 0 0 0 0 0 5.2950 -1.5930 -0.8620 C 0 0 0 0 0 4.1870 0.2490 0.2050 C 0 0 0 0 0 3.0510 -0.5220 0.3620 C 0 0 0 0 0 3.0330 -1.8310 -0.1010 C 0 0 0 0 0 0.6360 -2.0040 0.1000 C 0 0 0 0 0 0.7290 1.0410 -1.6250 O 0 0 0 0 0 5.3100 -0.2870 -0.4040 C 0 0 0 0 0 6.4210 0.4670 -0.5520 F 0 0 0 0 0 4.2130 2.0320 0.8340 BR 0 0 0 0 0 1.8800 -2.6110 0.0470 N 0 0 0 0 0 -0.3380 -2.5740 0.7450 N 0 0 0 0 0 -0.1000 -3.7580 1.4850 O 0 0 0 0 0 0.4160 -0.7050 -0.5770 C 0 0 0 0 0 -0.8430 0.0620 -0.7230 C 0 0 0 0 0 -0.4560 1.1170 -1.4010 N 0 0 0 0 0 1.2880 0.0570 -1.2000 N 0 0 0 0 0 -2.1130 -0.2550 -0.2600 N 0 0 0 0 0 -3.2340 0.6520 -0.5160 C 0 0 0 0 0 -4.5100 0.0720 0.0970 C 0 0 0 0 0 -5.6320 0.9790 -0.1590 N 0 0 0 0 0 -7.1880 0.4530 0.0520 S 0 0 0 0 0 -8.0290 1.5610 -0.2390 O 0 0 0 0 0 -7.2840 -0.7940 -0.6220 O 0 0 0 0 0 -7.3810 0.1300 1.6640 N 0 0 0 0 0 4.1480 -3.3840 -1.0720 H 0 0 0 0 0 6.1720 -2.0090 -1.3360 H 0 0 0 0 0 2.1780 -0.1070 0.8440 H 0 0 0 0 0 -0.8970 -4.1500 1.8670 H 0 0 0 0 0 -2.2580 -1.0780 0.2330 H 0 0 0 0 0 -3.0250 1.6230 -0.0670 H 0 0 0 0 0 -3.3680 0.7700 -1.5910 H 0 0 0 0 0 -4.7200 -0.9000 -0.3520 H 0 0 0 0 0 -4.3770 -0.0460 1.1720 H 0 0 0 0 0 -5.4630 1.8880 -0.4520 H 0 0 0 0 0 -6.6420 0.2640 2.2780 H 0 0 0 0 0 -8.2340 -0.1930 1.9950 H 0 0 0 0 0 1.9530 -3.5760 0.1110 H 0 0 0 0 0 1 5 2 0 0 0 1 26 1 0 0 0 2 8 2 0 0 0 2 1 1 0 0 0 2 27 1 0 0 0 3 10 1 0 0 0 3 4 2 0 0 0 4 28 1 0 0 0 5 4 1 0 0 0 5 11 1 0 0 0 6 12 2 0 0 0 6 14 1 0 0 0 7 16 1 0 0 0 8 3 1 0 0 0 9 8 1 0 0 0 11 6 1 0 0 0 11 38 1 0 0 0 13 12 1 0 0 0 13 29 1 0 0 0 14 17 2 0 0 0 14 15 1 0 0 0 15 18 1 0 0 0 15 16 2 0 0 0 17 7 1 0 0 0 18 19 1 0 0 0 18 30 1 0 0 0 19 20 1 0 0 0 19 31 1 0 0 0 19 32 1 0 0 0 20 21 1 0 0 0 20 33 1 0 0 0 20 34 1 0 0 0 21 22 1 0 0 0 21 35 1 0 0 0 22 25 1 0 0 0 22 23 2 0 0 0 24 22 2 0 0 0 25 36 1 0 0 0 25 37 1 0 0 0 M END $$$$