IFLAB-ZINC04313180 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 1 0 0 0 0 0999 V2000 -0.5100 1.3100 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.0040 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -0.6190 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 0.0290 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -0.5970 3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -2.5220 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -1.9030 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -2.5450 -0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -3.8610 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -2.5480 4.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4440 -3.6230 4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -2.1030 5.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -1.6680 6.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -1.3560 7.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -1.0530 8.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -1.4790 7.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -1.2350 8.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -2.0540 5.8860 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -1.4880 6.8400 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 -2.4860 5.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0730 -3.5320 5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -2.2670 4.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4200 -2.9880 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -0.9470 3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -0.1570 3.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -0.8150 4.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 -1.7610 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3170 -1.9900 5.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 1.9720 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.6840 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 1.2780 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 1.0240 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -0.0900 4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -3.5170 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -3.8200 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -4.5070 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -4.2580 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -0.1100 3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 28 29 2 0 0 0 0 M END