CHEMBRIDGE-ZINC02995822 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.4240 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0050 -0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6380 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1030 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -0.5340 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -1.9120 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.6680 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.0210 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.1380 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -4.7910 -0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -4.8320 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -6.2700 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -7.0390 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 -6.5280 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -8.5410 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -9.1730 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -10.6980 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2980 -11.3210 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2840 -10.6150 0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 -12.6620 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6970 -13.2420 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8000 -12.6240 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0500 -13.1990 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2050 -14.3880 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1100 -15.0050 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8560 -14.4380 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2810 -16.2770 1.6620 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.3860 -16.7800 1.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3160 -16.8210 2.1700 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0060 1.8010 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.7870 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 1.7740 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1820 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0480 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -2.4060 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -2.5980 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -4.5500 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -4.5370 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -8.8520 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -8.8650 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -8.8620 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 -8.8490 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -11.0090 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 -11.0220 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 -13.2260 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6790 -11.6960 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9080 -12.7200 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1840 -14.8350 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0000 -14.9230 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 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 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 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 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END