CHEMBRIDGE-ZINC04003516 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0250 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4080 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 2.0910 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 3.4890 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 4.0020 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 5.5260 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 6.1270 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 5.5400 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 4.0150 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 2.0950 -0.0200 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.1610 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2970 -2.7560 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -2.7840 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.7200 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -0.4070 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 -1.2540 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -1.0110 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -1.3060 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -0.4600 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9120 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -0.5040 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 3.7280 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 3.5710 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 5.9080 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 5.8010 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 5.8860 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 7.2090 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 5.9310 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 5.8140 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 3.5930 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 3.7410 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -0.6310 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 0.6500 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -2.3100 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -0.9840 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -2.3640 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -1.0740 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 0.5970 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -0.7220 -2.0840 H 0 0 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END