QDA CCTOOLS-0919241036 46 48 0 0 0 0 0 0 0 0999 V2000 0.1690 -0.8580 -0.2440 C 0 0 0 0 0 1.3070 -0.0570 -0.2510 C 0 0 0 0 0 3.7610 0.2220 -0.2740 C 0 0 0 0 0 4.9460 -0.5340 -0.9000 C 0 0 0 0 0 6.0370 -0.6210 0.1860 C 0 0 0 0 0 5.2590 -0.4800 1.5180 C 0 0 0 0 0 4.1740 0.5690 1.1710 C 0 0 0 0 0 -0.0350 1.8220 -0.2310 C 0 0 0 0 0 -1.9700 3.7570 -0.2040 C 0 0 0 0 0 -1.0770 -0.2390 -0.2350 C 0 0 0 0 0 -3.5450 -0.3350 -0.2220 C 0 0 0 0 0 -4.6100 -1.2630 -0.8330 C 0 0 0 0 0 -5.6600 -1.5130 0.2700 C 0 0 0 0 0 -5.5140 -0.2960 1.2170 C 0 0 0 0 0 -3.9840 -0.0540 1.2290 C 0 0 0 0 0 0.2820 -2.3340 -0.2510 N 0 3 0 0 0 2.5690 -0.6300 -0.2660 N 0 0 0 0 0 1.1680 1.2660 -0.2450 N 0 0 0 0 0 -1.1400 1.0900 -0.2280 N 0 0 0 0 0 -2.2380 -0.9970 -0.2320 N 0 0 0 0 0 0.3170 -2.9370 -1.3090 O 0 0 0 0 0 0.3380 -2.9460 0.8000 O 0 5 0 0 0 -0.1690 3.5790 -0.2220 S 0 0 0 0 0 3.5620 1.1350 -0.8350 H 0 0 0 0 0 4.6350 -1.5360 -1.1980 H 0 0 0 0 0 5.3220 0.0120 -1.7650 H 0 0 0 0 0 6.5450 -1.5840 0.1410 H 0 0 0 0 0 6.7530 0.1930 0.0730 H 0 0 0 0 0 4.8030 -1.4290 1.8010 H 0 0 0 0 0 5.9120 -0.1160 2.3110 H 0 0 0 0 0 4.5880 1.5760 1.2180 H 0 0 0 0 0 3.3220 0.4740 1.8440 H 0 0 0 0 0 -2.3740 3.2770 0.6880 H 0 0 0 0 0 -2.2310 4.8150 -0.1970 H 0 0 0 0 0 -2.3910 3.2850 -1.0920 H 0 0 0 0 0 -3.4950 0.5970 -0.7850 H 0 0 0 0 0 -5.0780 -0.7800 -1.6910 H 0 0 0 0 0 -4.1550 -2.2050 -1.1370 H 0 0 0 0 0 -6.6620 -1.5460 -0.1580 H 0 0 0 0 0 -5.4420 -2.4400 0.8000 H 0 0 0 0 0 -6.0390 0.5710 0.8150 H 0 0 0 0 0 -5.8780 -0.5380 2.2150 H 0 0 0 0 0 -3.4940 -0.7440 1.9160 H 0 0 0 0 0 -3.7640 0.9780 1.5020 H 0 0 0 0 0 2.6640 -1.5960 -0.2720 H 0 0 0 0 0 -2.1850 -1.9650 -0.2370 H 0 0 0 0 0 1 16 1 0 0 0 2 17 1 0 0 0 2 1 2 0 0 0 3 4 1 0 0 0 3 24 1 0 0 0 4 5 1 0 0 0 4 25 1 0 0 0 4 26 1 0 0 0 5 27 1 0 0 0 5 28 1 0 0 0 6 5 1 0 0 0 6 29 1 0 0 0 6 30 1 0 0 0 7 3 1 0 0 0 7 6 1 0 0 0 7 31 1 0 0 0 7 32 1 0 0 0 8 18 2 0 0 0 8 19 1 0 0 0 9 23 1 0 0 0 9 33 1 0 0 0 9 34 1 0 0 0 9 35 1 0 0 0 10 1 1 0 0 0 10 20 1 0 0 0 11 20 1 0 0 0 11 12 1 0 0 0 11 36 1 0 0 0 12 37 1 0 0 0 12 38 1 0 0 0 13 12 1 0 0 0 13 39 1 0 0 0 13 40 1 0 0 0 14 13 1 0 0 0 14 41 1 0 0 0 14 42 1 0 0 0 15 14 1 0 0 0 15 11 1 0 0 0 15 43 1 0 0 0 15 44 1 0 0 0 16 22 1 0 0 0 17 3 1 0 0 0 17 45 1 0 0 0 18 2 1 0 0 0 19 10 2 0 0 0 20 46 1 0 0 0 21 16 2 0 0 0 23 8 1 0 0 0 M CHG 1 16 1 M CHG 1 22 -1 M END $$$$