IBS-ZINC02119623 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.1460 1.2940 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.0770 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -0.7200 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 0.0330 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 1.3930 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 2.0340 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 3.3680 -0.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 4.1030 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 5.5810 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 6.0010 -1.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 6.3820 0.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 7.8470 0.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2120 8.2500 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 8.3030 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 8.0070 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 8.6070 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 8.3280 -4.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 8.7720 -4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 9.4240 -4.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 8.4150 -6.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 8.4170 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 7.5360 2.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -0.5610 -1.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -1.9220 -1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 -2.4480 -2.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -2.6760 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -2.1270 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -3.1230 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -4.3170 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -4.1300 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 1.7530 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -0.6260 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.9560 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 3.7390 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 4.0220 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 6.0030 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 7.8230 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 9.3840 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 8.4060 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 6.9240 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 8.1990 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 9.6950 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 7.7890 -4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 7.8840 -6.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 8.7010 -6.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -2.7770 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.3860 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -4.3140 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -5.2730 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -4.7170 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -4.4200 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 9.6550 1.9430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 1 52 -1 M END