IBS-ZINC05490089 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3730 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 1.2170 -0.7000 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0200 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.4040 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0830 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.5630 0.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0880 4.1580 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 4.1860 -0.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7330 -0.6760 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -2.0850 0.5640 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2240 -2.0240 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -2.7880 -0.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7080 -2.8630 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -2.0920 -0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.4850 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -3.9670 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -4.7510 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -5.2390 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -4.1830 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -2.8630 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -3.8800 -0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.8990 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9560 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 -0.7350 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -0.1270 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -1.9420 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -2.1800 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -4.3420 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -4.1120 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -5.6100 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -4.1090 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -6.1210 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -5.5130 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -4.4380 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -4.1580 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9160 -2.4260 1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7170 -2.9580 0.9860 H 0 0 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 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 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END