IBS-ZINC02293077 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -1.6470 0.8680 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.1360 -0.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0740 2.2030 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 0.5720 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -0.5690 -1.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 1.3860 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 2.6780 -2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 3.0920 -4.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 3.9980 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 2.0980 -4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 1.0130 -4.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -0.1500 -4.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.1860 -6.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 0.9160 -6.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 2.0800 -6.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 0.9120 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 0.0960 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 0.1610 3.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.1860 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.5690 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 0.5350 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 1.0850 4.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 0.2640 5.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 0.8640 6.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 0.1710 7.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -0.8280 7.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -0.7890 5.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 1.3850 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 1.2260 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -0.2040 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 3.3530 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -1.0190 -4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -1.0820 -6.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 0.8700 -7.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 2.9350 -6.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 1.9770 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 0.7780 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -0.9610 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 0.4350 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.2680 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 0.0490 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 0.1420 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 1.6390 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 1.7000 7.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 0.3650 9.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -1.6130 7.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 0.4410 0.9020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6520 -0.5590 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 47 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END