IFLAB-ZINC04497104 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.4230 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.0820 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.7920 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -2.1700 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -2.8480 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.1250 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.7470 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 0.0200 -2.5050 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8270 -0.4050 -3.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 1.0780 -2.6350 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2320 -4.3250 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -4.9120 -1.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -5.0200 1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -6.4830 0.9910 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2080 -6.8800 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -6.9700 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 -8.2140 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -9.0520 1.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -8.2550 2.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -7.0840 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -9.2810 3.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -9.2930 4.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -10.3060 5.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -11.3110 5.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -11.3040 4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -10.2910 3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -12.2920 4.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -13.3050 5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 1.8310 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.7830 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.7450 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.2670 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.7240 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.6440 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -4.5510 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -7.2140 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -6.2150 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -6.3600 3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -7.3890 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -8.5090 4.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -10.3130 5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -12.1020 5.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -10.2870 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -12.8500 6.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -13.8090 5.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -14.0300 5.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END