CHEMBRIDGE-ZINC00729991 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 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 0.5120 -0.3570 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.5130 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -2.0180 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -2.6920 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -2.0330 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -3.1330 -0.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -4.4870 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -4.1170 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -5.0640 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -5.3070 2.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -5.6680 0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -6.5950 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -5.7850 0.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -6.0440 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -5.1420 -0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -7.4560 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -7.4730 -0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -8.6790 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3900 -8.7680 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0250 -9.9940 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3580 -11.1320 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -11.0460 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 -9.8220 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -12.6050 0.5600 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.5360 0.0180 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 1.6950 0.0010 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.3220 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -2.2000 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -2.4190 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -7.4030 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -7.0090 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -6.0690 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -6.5080 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -8.0880 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -7.8330 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 -7.8790 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0440 -10.0640 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8560 -12.0900 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 -9.7560 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.0500 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -0.3330 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 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 14 35 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 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 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 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END