CHEMBRIDGE-ZINC00310856 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8220 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.6700 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -4.0350 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.5680 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -3.7130 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -2.3490 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -1.4420 3.4170 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6390 -1.9020 4.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -0.2350 3.2840 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1400 -6.0300 1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -6.4920 2.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -6.8540 0.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -8.2290 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -9.0240 0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -10.3390 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -10.8820 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -10.0210 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -8.7160 2.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -10.5670 3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -11.2350 -0.8680 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.2570 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.6920 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -4.1210 3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -6.4850 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -11.9520 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -10.6840 3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -9.8760 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -11.5350 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -11.4370 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -12.1740 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -10.7440 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END