IFLAB-ZINC02454539 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.4270 1.1870 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -0.1510 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -0.8030 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 0.3470 0.7590 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 1.6200 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -2.1780 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -2.5850 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 -1.7770 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 -0.5620 -0.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 -2.4160 -0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 -3.7550 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 -4.7810 -0.1880 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -4.2460 -0.2660 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 -1.6720 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 -1.3340 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 -0.5690 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 -0.3190 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -0.1620 2.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0890 0.6410 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 1.5690 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3760 2.3600 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3480 2.2440 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1760 1.3100 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0420 0.5170 3.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1130 1.1900 4.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5480 3.0960 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3910 2.9920 2.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.8430 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -0.6410 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 2.6400 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -2.9060 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 -2.2810 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 -0.7510 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3170 -0.7240 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 -2.2550 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 -0.4280 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5160 1.6630 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5050 3.0770 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 -0.2000 3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9650 1.7650 4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7110 3.9900 1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5150 4.5280 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 M END