CHEMBRIDGE-ZINC04754951 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -2.0540 0.5460 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -0.3280 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.9310 1.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -1.7330 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -1.9250 0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -2.3940 2.6220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1110 -2.0570 3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -3.9130 2.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9760 -4.4030 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -4.3520 1.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2030 -3.9770 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -3.8180 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -4.8010 0.7090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -6.0190 0.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -5.8500 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -6.6980 1.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -2.3670 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -1.9930 2.5720 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7760 -2.7200 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -0.5820 2.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -4.2800 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -3.9390 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -4.2760 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -4.9550 3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -5.2970 3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -4.9640 3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -6.0230 5.1940 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4230 -6.3190 5.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -6.3240 6.0500 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6730 1.3300 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 0.9980 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -0.0680 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -1.1120 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 0.2860 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -6.8760 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -2.2370 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -1.7470 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -3.7970 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 -2.4350 3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -2.4460 4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -0.2550 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -3.4090 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -4.0090 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -5.2180 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -5.2340 4.5740 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 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 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 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 45 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