IBS-ZINC02228929 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.2810 0.2260 3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.8820 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -2.2350 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -3.3470 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -1.6780 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -0.5580 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -4.1040 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -4.0240 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -3.5380 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -3.5120 -2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -3.9890 -3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -4.4780 -3.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -4.5060 -2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -5.0500 -3.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -5.3820 -4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -5.9060 -5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -6.2500 -6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -7.3310 -7.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -7.6160 -8.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -6.8090 -9.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -5.7610 -9.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -5.5060 -7.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -5.0370 -4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -5.1700 -6.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -3.0640 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 0.3380 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 1.1860 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 0.0080 4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -0.9450 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -2.1680 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.4950 3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -4.2760 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -3.5180 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -1.8220 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -1.4660 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 0.3720 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.3890 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.1030 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -5.0390 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -3.1220 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -3.9770 -4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -6.0780 -5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -7.9490 -6.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -8.4440 -8.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -6.9900 -10.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -4.6530 -7.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -2.8470 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -2.9720 0.5060 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9870 -2.8350 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 48 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 23 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 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 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 22 46 1 0 0 0 0 23 24 2 0 0 0 0 25 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END