IBS-ZINC04994250 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.1090 0.0230 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 0.5360 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 2.1070 1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 2.7040 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 4.1820 2.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 4.7530 3.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 5.3850 4.9800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7120 4.6680 5.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 5.8220 5.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 5.4440 4.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 4.7890 3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 4.3480 2.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 5.6250 5.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 6.4610 6.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 6.6310 7.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 6.9590 7.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 6.6350 8.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 7.1030 9.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 7.8940 8.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8410 8.2220 7.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 7.7620 6.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6560 8.9990 6.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8750 9.4420 7.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 6.5800 4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 7.2410 3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 8.3380 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 8.7750 4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 8.1160 5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 7.0210 5.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 6.3790 6.7210 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -1.0260 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 0.5080 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 0.0920 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 0.9790 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -0.5240 3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 1.0380 4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 2.1980 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 2.6440 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 2.1680 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 2.6140 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 4.7180 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 4.2720 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 7.0890 8.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 6.0170 9.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6750 6.8520 10.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1420 8.2570 8.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 8.0200 5.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6480 10.0350 7.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4300 10.0520 6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4750 8.5780 7.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 6.9000 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 8.8530 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 9.6320 3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 8.4580 5.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 0.6890 2.1920 N 0 0 0 0 0 0 0 0 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 1 55 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 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 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 M END