IFLAB-ZINC02457138 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.4020 1.7330 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 0.3410 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -0.2880 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 0.4570 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 1.8610 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 2.4860 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 2.6730 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 2.0350 3.3890 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2440 -1.7540 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.2220 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -2.5250 0.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -3.9790 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -4.7060 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -2.7390 2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -2.0180 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -5.0200 2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -6.2560 2.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2800 -7.0070 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -6.8330 3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -8.3130 2.3800 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -7.8470 1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -9.2500 2.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -5.8100 1.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -6.5560 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 2.2380 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.2400 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -0.0440 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 3.5740 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -4.2510 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -4.2940 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -5.7860 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -4.4870 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -2.5060 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -2.4640 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -0.9450 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -2.1810 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -4.3680 3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -5.2500 3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -7.0840 4.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -6.1360 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 3.9170 2.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -4.2410 1.8180 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3670 -4.5100 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -8.6050 3.1200 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 41 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 42 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 23 24 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 8 -1 M CHG 1 42 1 M CHG 1 44 -1 M END