NIH-ZINC04195890 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -0.4760 1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.4360 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.9590 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -2.3230 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8990 -1.8330 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -3.8170 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -4.4460 0.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -1.8790 1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 -1.3250 1.3050 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -1.0100 2.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 -0.3830 0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -2.6790 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0980 -3.5110 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9140 -4.5730 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2330 -4.8040 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 -3.9720 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9230 -2.9070 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -0.0280 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.0190 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -2.3660 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -2.3760 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -1.9100 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 -3.3300 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3030 -5.2230 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8710 -5.6350 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9850 -4.1530 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5380 -2.2550 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -4.4480 -1.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -5.4070 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 33 34 1 0 0 0 0 M END