IFLAB-ZINC04280281 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 -0.5040 1.1730 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.2990 -0.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0160 -0.9060 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -0.6290 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -2.3520 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -1.9450 -1.6220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2130 -2.5510 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.5610 -1.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.1310 -3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -2.5320 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -4.0250 2.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5660 -4.6200 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -4.4950 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -5.9030 3.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -6.5460 4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -7.9290 4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -8.7100 5.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -8.1140 6.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -6.7250 6.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -5.9440 5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -8.8240 7.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -10.1920 8.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -11.0450 7.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -10.5720 9.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -4.2180 1.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -5.1330 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 1.8140 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 1.4040 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.4350 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -0.0250 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.5050 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -3.4200 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.7620 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -3.1740 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -1.8280 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -1.5010 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -1.9680 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -2.2980 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -4.2870 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -3.9940 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -8.4130 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -9.7810 5.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -6.2280 7.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -4.8730 5.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -8.2650 8.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 -10.0710 10.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -11.6530 9.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 -10.2800 9.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -2.0750 0.7580 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5700 -2.6870 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END