QBY CCTOOLS-0919241036 53 56 0 0 0 0 0 0 0 0999 V2000 3.7740 -0.4700 -2.1280 O 0 0 0 0 0 3.6790 0.1460 -1.0840 C 0 0 0 0 0 4.7350 0.2250 -0.2490 N 0 0 0 0 0 4.6730 1.0380 0.9760 C 0 0 0 0 0 5.1360 0.1730 2.1540 C 0 0 0 0 0 6.4040 -0.4090 1.8410 O 0 0 0 0 0 6.3820 -1.2900 0.7150 C 0 0 0 0 0 5.9810 -0.5040 -0.5340 C 0 0 0 0 0 2.4130 0.8110 -0.7340 C 0 0 0 0 0 1.2090 0.0900 -0.7370 C 0 0 0 0 0 1.1720 -1.6210 -1.1560 S 0 0 0 0 0 1.4150 -2.3520 0.4820 C 0 0 0 0 0 1.4190 -3.8770 0.3650 C 0 0 0 0 0 2.3980 2.1710 -0.3870 C 0 0 0 0 0 1.2880 2.7870 -0.0710 N 0 0 0 0 0 0.1030 2.1580 -0.0600 C 0 0 0 0 0 0.0230 0.7850 -0.3910 C 0 0 0 0 0 -1.0700 2.8490 0.2830 C 0 0 0 0 0 -2.2660 2.1990 0.2900 C 0 0 0 0 0 -2.3510 0.8450 -0.0410 C 0 0 0 0 0 -1.2170 0.1340 -0.3720 C 0 0 0 0 0 -3.5580 0.2200 -0.0250 O 0 0 0 0 0 -4.6920 1.0100 0.3380 C 0 0 0 0 0 -5.9320 0.1550 0.3010 C 0 0 0 0 0 -6.3360 -0.5280 1.4330 C 0 0 0 0 0 -7.4730 -1.3130 1.3980 C 0 0 0 0 0 -8.2080 -1.4140 0.2310 C 0 0 0 0 0 -7.8050 -0.7300 -0.9000 C 0 0 0 0 0 -6.6700 0.0580 -0.8650 C 0 0 0 0 0 5.3280 1.9030 0.8750 H 0 0 0 0 0 3.6490 1.3700 1.1450 H 0 0 0 0 0 5.8220 -1.1930 -1.3640 H 0 0 0 0 0 6.7700 0.2030 -0.7880 H 0 0 0 0 0 5.2300 0.7930 3.0450 H 0 0 0 0 0 4.4070 -0.6170 2.3340 H 0 0 0 0 0 7.3720 -1.7220 0.5720 H 0 0 0 0 0 5.6580 -2.0850 0.8900 H 0 0 0 0 0 3.3260 2.7230 -0.3810 H 0 0 0 0 0 2.3680 -2.0160 0.8910 H 0 0 0 0 0 0.6060 -2.0400 1.1430 H 0 0 0 0 0 1.5660 -4.3170 1.3510 H 0 0 0 0 0 0.4660 -4.2130 -0.0450 H 0 0 0 0 0 2.2280 -4.1890 -0.2960 H 0 0 0 0 0 -1.0230 3.8960 0.5420 H 0 0 0 0 0 -1.2860 -0.9140 -0.6220 H 0 0 0 0 0 -3.1640 2.7390 0.5550 H 0 0 0 0 0 -4.5530 1.4040 1.3450 H 0 0 0 0 0 -4.7990 1.8370 -0.3640 H 0 0 0 0 0 -5.7620 -0.4490 2.3440 H 0 0 0 0 0 -6.3570 0.5950 -1.7480 H 0 0 0 0 0 -7.7880 -1.8470 2.2820 H 0 0 0 0 0 -9.0970 -2.0270 0.2040 H 0 0 0 0 0 -8.3790 -0.8090 -1.8120 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 8 1 0 0 0 4 5 1 0 0 0 4 30 1 0 0 0 4 31 1 0 0 0 5 6 1 0 0 0 5 34 1 0 0 0 5 35 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 36 1 0 0 0 7 37 1 0 0 0 8 32 1 0 0 0 8 33 1 0 0 0 9 10 1 0 0 0 9 14 2 0 0 0 10 11 1 0 0 0 10 17 2 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 39 1 0 0 0 12 40 1 0 0 0 13 41 1 0 0 0 13 42 1 0 0 0 13 43 1 0 0 0 14 15 1 0 0 0 14 38 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 17 21 1 0 0 0 18 19 2 0 0 0 18 44 1 0 0 0 19 20 1 0 0 0 19 46 1 0 0 0 20 21 2 0 0 0 20 22 1 0 0 0 21 45 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 23 47 1 0 0 0 23 48 1 0 0 0 24 25 1 0 0 0 24 29 2 0 0 0 25 26 2 0 0 0 25 49 1 0 0 0 26 27 1 0 0 0 26 51 1 0 0 0 27 28 2 0 0 0 27 52 1 0 0 0 28 29 1 0 0 0 28 53 1 0 0 0 29 50 1 0 0 0 M END $$$$