IBS-ZINC05046790 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 -0.1100 1.4960 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 0.1050 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -0.6000 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 0.0930 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 1.4950 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 2.1940 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 2.2990 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 2.3400 -1.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 3.0120 0.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 2.9440 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 2.8440 3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 3.8960 3.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 3.7950 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 3.9540 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -0.6130 -0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -2.0890 -0.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6190 -2.3920 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.6410 -0.8120 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4100 -2.2760 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -2.0960 -0.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2050 -2.2910 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -2.9940 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -4.1540 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -4.1450 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -2.5310 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 -1.6910 -0.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 2.0330 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -0.4220 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 3.2790 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 3.8730 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 2.1030 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 2.9340 4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 1.8770 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 4.5880 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 2.8330 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 3.8440 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 4.9550 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -0.1540 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -2.7930 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -5.0000 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -4.6040 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -4.6690 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -3.6720 -1.2230 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 43 -1 M END