21W CCTOOLS-0919241036 46 49 0 0 0 0 0 0 0 0999 V2000 1.4200 0.1980 -1.2000 C 0 0 0 0 0 1.4250 0.1880 1.1940 C 0 0 0 0 0 2.6280 -0.4740 -1.2050 C 0 0 0 0 0 2.6330 -0.4840 1.1890 C 0 0 0 0 0 9.6270 1.1410 0.6460 C 0 0 0 0 0 9.5200 1.2020 -0.6950 C 0 0 0 0 0 -3.7830 -1.5740 -0.0010 C 0 0 0 0 0 -5.3830 0.1420 0.0090 C 0 0 0 0 0 -3.9770 -0.2490 0.0050 C 0 0 0 0 0 0.8180 0.5290 0.0000 C 0 0 0 0 0 3.2340 -0.8160 -0.0100 C 0 0 0 0 0 -6.2160 -0.9690 -0.0050 C 0 0 0 0 0 8.0580 -0.2330 -0.0180 C 0 0 0 0 0 -8.0880 0.3930 -0.0040 C 0 0 0 0 0 -5.9860 1.4340 0.0150 C 0 0 0 0 0 -2.8740 0.7230 0.0080 C 0 0 0 0 0 -0.4980 1.2630 0.0060 C 0 0 0 0 0 4.5500 -1.5490 -0.0160 C 0 0 0 0 0 6.9540 -1.2590 -0.0200 C 0 0 0 0 0 8.7020 0.2280 1.0760 N 0 0 0 0 0 -7.5550 -0.7930 -0.0110 N 0 0 0 0 0 8.5520 0.3540 -1.0740 N 0 0 0 0 0 -7.3320 1.5190 0.0170 N 0 0 0 0 0 -1.5970 0.2940 0.0030 N 0 0 0 0 0 5.6530 -0.5780 -0.0140 N 0 0 0 0 0 -5.2990 2.4410 0.0190 O 0 0 0 0 0 -3.1150 1.9160 0.0140 O 0 0 0 0 0 -5.2490 -2.4360 -0.0090 S 0 0 0 0 0 0.9490 0.4690 -2.1330 H 0 0 0 0 0 0.9550 0.4470 2.1320 H 0 0 0 0 0 3.0980 -0.7330 -2.1420 H 0 0 0 0 0 3.1070 -0.7500 2.1220 H 0 0 0 0 0 10.3130 1.7020 1.2630 H 0 0 0 0 0 10.1100 1.8260 -1.3510 H 0 0 0 0 0 -2.8090 -2.0410 -0.0050 H 0 0 0 0 0 -9.1640 0.4840 -0.0020 H 0 0 0 0 0 -0.5640 1.8840 0.8990 H 0 0 0 0 0 -0.5670 1.8920 -0.8810 H 0 0 0 0 0 4.6190 -2.1790 0.8710 H 0 0 0 0 0 4.6160 -2.1710 -0.9090 H 0 0 0 0 0 7.0360 -1.8790 -0.9130 H 0 0 0 0 0 7.0400 -1.8870 0.8670 H 0 0 0 0 0 8.5380 -0.0360 1.9940 H 0 0 0 0 0 -7.7600 2.3890 0.0220 H 0 0 0 0 0 -1.4050 -0.6570 -0.0020 H 0 0 0 0 0 5.5740 0.0590 -0.7930 H 0 0 0 0 0 1 10 2 0 0 0 1 3 1 0 0 0 1 29 1 0 0 0 2 4 2 0 0 0 2 30 1 0 0 0 3 11 2 0 0 0 3 31 1 0 0 0 4 32 1 0 0 0 5 33 1 0 0 0 6 5 2 0 0 0 6 34 1 0 0 0 7 9 2 0 0 0 7 35 1 0 0 0 8 15 1 0 0 0 9 8 1 0 0 0 9 16 1 0 0 0 10 2 1 0 0 0 11 4 1 0 0 0 11 18 1 0 0 0 12 21 1 0 0 0 12 8 2 0 0 0 13 20 1 0 0 0 14 23 1 0 0 0 14 36 1 0 0 0 15 23 1 0 0 0 15 26 2 0 0 0 16 24 1 0 0 0 17 10 1 0 0 0 17 37 1 0 0 0 17 38 1 0 0 0 18 25 1 0 0 0 18 39 1 0 0 0 18 40 1 0 0 0 19 13 1 0 0 0 19 41 1 0 0 0 19 42 1 0 0 0 20 5 1 0 0 0 20 43 1 0 0 0 21 14 2 0 0 0 22 13 2 0 0 0 22 6 1 0 0 0 23 44 1 0 0 0 24 17 1 0 0 0 24 45 1 0 0 0 25 19 1 0 0 0 25 46 1 0 0 0 27 16 2 0 0 0 28 7 1 0 0 0 28 12 1 0 0 0 M END $$$$