IBS-ZINC02130263 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 -0.2470 2.5510 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 3.0140 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 2.8530 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 3.2860 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 3.8630 -2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 3.9900 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 3.5730 -1.5050 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9140 4.3480 -4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 4.8980 -4.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 3.1300 -1.9040 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7820 3.2740 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 4.1480 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 3.8530 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 4.9970 0.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3660 5.1020 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 5.9630 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 5.4420 -0.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8830 2.4800 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 1.6610 -1.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6280 0.6130 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9770 2.1770 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 2.3810 -3.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 2.2810 0.4030 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0640 1.5140 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 3.1760 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 2.6270 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 4.4380 -3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 3.5120 -4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 5.1140 -3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 5.2300 -5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 6.9940 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5940 1.9980 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9690 2.5580 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 3.6780 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 1.7860 -1.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 1.0740 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2980 2.4100 -2.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6480 2.7410 -3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 7 1 M CHG 1 23 -1 M END