CHEMBRIDGE-ZINC02498591 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -2.2380 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -4.0200 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -4.4630 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -4.4690 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 -4.8750 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8530 -5.2760 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -5.2690 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -4.8680 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1550 -5.6960 1.5570 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6890 -5.6900 2.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3050 -6.0540 1.3760 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -1.1560 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -2.6860 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -2.6270 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -4.5430 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -4.2510 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -4.1560 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 -4.8790 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -4.8670 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -2.5720 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1360 -5.6750 -1.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2320 -6.6230 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 4 33 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END