IBS-ZINC04026898 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 39 0 0 1 0 0 0 0 0999 V2000 0.6700 -0.8530 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.0310 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -0.5380 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 1.4670 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 1.6910 1.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 1.6330 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.2350 -1.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9340 -1.2930 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.2350 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 1.3620 -1.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -0.6960 -0.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 -0.4310 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -0.2950 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -0.0940 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 -0.0440 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 0.1460 2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 0.1560 4.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 -0.0300 5.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 0.4870 -2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -1.9050 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -0.4690 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.8260 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -0.5200 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 0.0730 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -1.5730 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.8380 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 2.0870 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -1.6130 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 -1.2790 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 0.4730 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 0.5480 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 -1.1940 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -0.9140 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 0.8360 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 0.7750 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 -0.9740 3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9710 -0.6590 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7420 1.0920 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 1.2990 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 0.3490 4.5070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 19 39 1 0 0 0 0 M CHG 1 40 -1 M END