CHEMBRIDGE-ZINC02841329 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 0.0170 1.4810 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.0480 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -0.5720 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -2.0010 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -2.6300 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -1.8870 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -2.5280 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 -3.9090 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -4.6560 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -4.0200 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -4.7520 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -6.1740 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3930 -4.6020 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 -4.8170 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 -4.4440 -2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 -5.4240 -1.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5150 -5.5400 -2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 -5.7310 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0990 -5.8450 -5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4560 -5.7700 -5.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3480 -5.5800 -4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8830 -5.4710 -3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7590 -5.2900 -2.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -5.2280 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 -6.0480 -6.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9540 -6.1140 -6.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5650 -6.1490 -7.5290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0410 1.8540 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.8500 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 1.8300 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.3970 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.4170 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -0.2240 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -0.2030 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -0.8080 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 -1.9480 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -5.7340 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -6.4720 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -6.6360 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -6.5000 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2990 -5.5660 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1180 -3.9860 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5580 -5.7800 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5660 -5.7890 -3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8210 -5.8590 -6.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4070 -5.5220 -4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4450 -6.1600 -2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7340 -5.0810 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3180 -4.3960 -3.1780 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 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 36 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END