IBS-ZINC04897884 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -1.1050 1.7530 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 0.4480 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.2350 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -1.4360 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -1.9300 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -1.2720 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -0.0610 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -2.0680 -2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -3.1540 -1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -3.0750 -0.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -3.7640 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -4.2260 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -4.1440 -3.7400 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4940 -1.9700 -3.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -0.9710 -4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 0.0580 -3.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -1.1830 -5.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -1.6460 -6.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -1.8000 -7.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -1.4840 -8.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -1.0120 -7.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -0.8650 -6.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -0.4290 -5.8920 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9630 0.6440 -6.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 -1.1960 -5.0850 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4020 2.5840 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 1.8810 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 1.7940 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.1640 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -1.9650 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4860 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -2.8070 -4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -1.8800 -5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -2.1650 -8.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -1.6100 -9.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -0.7750 -8.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -5.1340 -1.8740 O 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 37 2 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 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 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 23 1 M CHG 1 25 -1 M END