IFLAB-ZINC04940875 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5120 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.0420 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2930 -2.4010 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.5600 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.9610 -1.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.4990 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -2.9160 -2.4250 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -2.0750 -3.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -4.0920 -2.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -3.2750 -1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -4.1610 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -4.4520 -2.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -5.2210 -3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -5.6730 -4.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -5.5140 -3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 -6.3100 -4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6830 -6.5800 -3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 -6.0630 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4590 -5.2730 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1440 -5.0000 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -2.5480 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -0.1540 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.1410 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.2780 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -3.6450 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.2240 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -0.0490 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -3.7930 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -2.3420 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -3.6440 -4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -5.0940 -3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -4.0910 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -6.7130 -4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2870 -7.1950 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 -6.2770 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8890 -4.8730 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -4.3880 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -2.1770 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -3.6380 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.1900 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M END