IBS-ZINC04870836 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -4.5130 1.6790 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 0.6270 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 0.7930 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 0.5000 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -1.4640 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -2.4410 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -3.8020 1.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -4.3900 2.3920 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5430 -3.8040 3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -5.7510 2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -5.9270 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -4.6660 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -4.4740 -1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -7.0120 0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -6.8040 3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -7.9560 2.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -6.4240 4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -6.9220 5.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -6.5600 6.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -5.7160 7.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -5.2350 5.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -5.5930 4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -5.3610 8.2580 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -4.4000 3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 -3.8680 4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 -3.8790 4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1610 -4.4220 4.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9870 -4.9570 2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -4.9480 2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 2.1320 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 2.4820 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 1.2370 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.0490 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -0.1410 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 0.5730 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 1.8490 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -0.5420 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 0.7120 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 1.1310 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -1.4490 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -1.7540 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -2.1510 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -2.4390 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -6.7780 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -7.5820 5.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -6.9320 7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -4.5960 6.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -5.2340 3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -3.4460 4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -3.4700 5.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 -4.4340 4.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8350 -5.3890 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -5.3790 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -0.0410 0.4910 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6230 -0.1040 -0.2280 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 33 1 0 0 0 0 2 34 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 54 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END