CHEMBRIDGE-ZINC04311864 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.3120 1.1040 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 1.6350 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 3.0220 -1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 0.8770 -2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 1.5000 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 0.4160 -4.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 0.6320 -5.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -0.7750 -3.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -0.6180 -2.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1770 -1.0400 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -1.3120 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -0.9930 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 -1.6780 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -2.6840 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -3.0130 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -2.3300 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -3.3990 2.0480 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1810 -3.3400 2.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -4.0070 2.8800 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2090 -2.0790 -4.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -2.9710 -4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -4.3360 -4.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -5.3300 -4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -4.8700 -4.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 2.7060 -3.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 0.0340 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 1.6110 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.2810 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -0.2200 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 -1.4180 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -3.7980 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -2.6100 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -2.5570 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -1.9300 -5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -2.4800 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -3.1080 -3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -4.7820 -4.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -4.2230 -5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 3.2940 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -6.5100 -5.1700 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 40 -1 M END