CHEMBRIDGE-ZINC01774810 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.9450 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -1.4030 3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.4200 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -0.9780 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -0.5240 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.6110 -2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -1.0670 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -1.3980 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -1.8320 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -1.9490 -5.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -1.6340 -5.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -1.1850 -4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.8630 -4.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -0.4440 -3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -0.3230 -2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -0.0990 -3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -0.2190 -4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 0.1030 -4.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 0.5460 -3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3830 0.6670 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 0.3420 -2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 0.8910 -3.5950 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.2070 0.7850 -4.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0920 1.2800 -2.5720 O 0 5 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 -1.0620 -0.9330 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -1.7480 4.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.7760 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 -0.9900 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -0.1830 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.6950 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -1.3110 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -2.0880 -4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -2.2940 -6.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -1.7300 -6.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -0.5630 -5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 0.0110 -5.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 1.0120 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 0.4330 -1.5060 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 4 1 0 0 0 0 2 10 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 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 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 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