CHEMBRIDGE-ZINC04311864 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 2.7720 -1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 0.6030 -2.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7710 0.3340 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 0.7760 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 0.7070 -3.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 1.2600 -4.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 1.2100 -3.6170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8990 2.2160 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 0.3410 -4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 0.6870 -4.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -0.1100 -5.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.2540 -6.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -1.6000 -5.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -0.8050 -5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -2.1060 -7.1990 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8670 -1.8010 -7.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -3.1140 -7.6680 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1620 1.7740 -5.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 3.2730 -5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 3.8100 -6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 5.2870 -6.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 5.8520 -5.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -0.1450 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 1.5800 -4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 0.1610 -6.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -2.4930 -6.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -1.0780 -4.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 1.6070 -6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 1.2550 -5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 3.4400 -4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 3.7920 -4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 3.6440 -7.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 3.2920 -6.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -0.3250 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 5.9750 -7.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 6.9200 -7.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 9 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 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 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END