CHEMBRIDGE-ZINC02898397 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -3.9960 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -4.4640 3.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -5.9930 3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -6.4610 4.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -7.8890 5.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -8.4710 6.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -9.8540 6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -10.4420 7.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -9.6550 8.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -8.2770 8.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -7.6830 7.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -10.2890 9.3480 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7550 -11.5030 9.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 -9.5960 10.2160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -4.3610 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -4.3860 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -4.0730 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -4.0990 4.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -6.3840 3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -6.3580 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -6.0700 4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -6.0960 5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -10.4690 5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -11.5190 7.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -7.6640 8.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -6.6070 6.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -2.5270 2.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -2.1400 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 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 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END