NCID-ZINC04946650 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 0.2130 1.4350 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 0.2510 1.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -0.4430 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 0.1020 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 1.3240 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 2.0500 1.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 1.6120 0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 0.5800 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -0.3550 -0.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 2.7960 0.8360 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6270 3.6560 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 2.6920 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 3.4900 2.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7980 3.1540 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 3.1490 0.8170 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0860 2.1610 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 2.9830 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5800 4.1390 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1770 3.5140 -1.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 4.2550 -1.6970 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6040 4.9270 -2.3130 N 0 5 0 0 0 0 0 0 0 0 0 0 5.8970 5.0000 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 5.4340 2.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -1.6810 -0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -2.3440 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -2.0280 0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.9580 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 0.5640 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 3.0480 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 1.6490 2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 5.0540 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3860 4.3900 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.0960 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -3.2920 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9550 5.6290 2.6830 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 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 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 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 24 25 1 0 0 0 0 24 33 1 0 0 0 0 25 26 2 0 0 0 0 25 34 1 0 0 0 0 M CHG 1 20 1 M CHG 1 21 -1 M CHG 1 35 -1 M END