IBS-ZINC02139050 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.8770 1.3940 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -0.1040 0.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1290 -0.8710 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.6740 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.0890 2.4940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1670 -2.1640 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -0.9130 3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -1.7830 4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -1.6480 6.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -0.6450 6.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 0.2260 5.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 0.1040 3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 1.0290 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 1.0680 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -0.3580 1.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7590 -0.8840 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -0.3760 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3940 0.3540 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -1.7480 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -1.9500 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -0.6730 -1.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1880 -0.8640 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 0.2530 -2.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 0.1010 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -0.7550 -3.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 1.1540 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 1.0580 -5.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 2.1090 -6.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.9180 -6.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -0.5480 7.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 1.5640 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 1.9940 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 1.7990 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -1.9480 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -0.5600 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -1.2760 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 0.3650 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -2.5770 4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -2.3240 6.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 1.0010 5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 0.6950 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 2.0470 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 1.6130 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 1.6380 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -2.5740 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -1.7670 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -2.8140 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -2.1580 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 1.0270 -4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 2.1370 -3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 1.1630 -5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 0.0670 -6.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 0.1930 7.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 2.0350 -7.7750 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 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 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 23 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 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 1 54 -1 M END