P31 CCTOOLS-0919241030 44 47 0 0 0 0 0 0 0 0999 V2000 -5.8660 -1.9640 0.0550 C 0 0 0 0 0 -6.4880 -1.8550 -1.1800 C 0 0 0 0 0 -6.4700 -0.7300 -1.8630 N 0 0 0 0 0 -5.2100 -0.8670 0.5840 C 0 0 0 0 0 -5.2050 0.3160 -0.1590 C 0 0 0 0 0 -5.8580 0.3530 -1.4060 C 0 0 0 0 0 -5.6930 1.6230 -1.9070 N 0 0 0 0 0 -4.6410 1.6510 0.0480 C 0 0 0 0 0 -3.8460 2.1140 1.2410 C 0 0 0 0 0 -2.3960 1.7500 1.0510 C 0 0 0 0 0 -1.9190 0.5320 1.4930 C 0 0 0 0 0 -0.6510 0.2030 1.3320 N 0 0 0 0 0 0.2090 1.0200 0.7450 C 0 0 0 0 0 -0.2030 2.2630 0.2750 C 0 0 0 0 0 -1.5270 2.6340 0.4240 C 0 0 0 0 0 1.5360 0.6330 0.5960 N 0 0 0 0 0 2.4930 1.5310 -0.0530 C 0 0 0 0 0 3.8510 0.8790 -0.0880 C 0 0 0 0 0 -4.9670 2.3820 -1.0290 C 0 0 0 0 0 4.2210 0.0900 -1.1610 C 0 0 0 0 0 5.4070 -0.4850 -1.1980 N 0 0 0 0 0 6.2820 -0.3320 -0.2230 C 0 0 0 0 0 5.9830 0.4420 0.8810 C 0 0 0 0 0 4.7470 1.0670 0.9530 C 0 0 0 0 0 7.6230 -1.0160 -0.3120 C 0 0 0 0 0 8.5800 -0.2560 0.3690 F 0 0 0 0 0 7.5380 -2.2860 0.2680 F 0 0 0 0 0 7.9950 -1.1400 -1.6550 F 0 0 0 0 0 -5.9160 -3.4620 0.9320 CL 0 0 0 0 0 -7.0000 -2.7130 -1.5900 H 0 0 0 0 0 -4.7180 -0.9230 1.5430 H 0 0 0 0 0 -6.0410 1.9350 -2.7570 H 0 0 0 0 0 -3.9390 3.1960 1.3420 H 0 0 0 0 0 -4.2270 1.6320 2.1410 H 0 0 0 0 0 -2.5920 -0.1600 1.9780 H 0 0 0 0 0 0.5010 2.9280 -0.2030 H 0 0 0 0 0 -1.8770 3.5900 0.0650 H 0 0 0 0 0 1.8270 -0.2330 0.9220 H 0 0 0 0 0 2.1640 1.7390 -1.0710 H 0 0 0 0 0 2.5530 2.4650 0.5070 H 0 0 0 0 0 -4.6970 3.4170 -1.1810 H 0 0 0 0 0 3.5310 -0.0580 -1.9780 H 0 0 0 0 0 6.7040 0.5630 1.6760 H 0 0 0 0 0 4.4850 1.6780 1.8040 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 30 1 0 0 0 4 5 2 0 0 0 4 1 1 0 0 0 4 31 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 3 2 0 0 0 7 32 1 0 0 0 8 5 1 0 0 0 8 19 2 0 0 0 9 8 1 0 0 0 9 33 1 0 0 0 9 34 1 0 0 0 10 9 1 0 0 0 10 15 2 0 0 0 11 10 1 0 0 0 11 35 1 0 0 0 12 11 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 14 36 1 0 0 0 15 37 1 0 0 0 16 13 1 0 0 0 16 38 1 0 0 0 17 16 1 0 0 0 17 39 1 0 0 0 17 40 1 0 0 0 18 17 1 0 0 0 19 7 1 0 0 0 19 41 1 0 0 0 20 18 1 0 0 0 20 42 1 0 0 0 21 20 2 0 0 0 22 23 2 0 0 0 22 21 1 0 0 0 23 24 1 0 0 0 23 43 1 0 0 0 24 18 2 0 0 0 24 44 1 0 0 0 25 27 1 0 0 0 25 22 1 0 0 0 25 26 1 0 0 0 28 25 1 0 0 0 29 1 1 0 0 0 M END $$$$