IBS-ZINC04811653 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 34 0 0 0 0 0 0 0 0999 V2000 -0.4120 1.7040 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 0.2170 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -0.5600 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -2.0590 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -4.2210 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -4.3280 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -3.2600 -2.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -2.7280 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -1.9460 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 -1.4540 -0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 2.4810 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 3.9480 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 4.6930 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 4.6650 0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 1.8240 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 2.1200 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -0.1820 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 0.0830 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -0.1980 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -0.3640 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.4020 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -2.3200 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -4.6830 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -4.7560 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -2.2340 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -3.7500 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 2.3910 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 2.0420 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 4.0340 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 4.4300 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -2.8100 0.2360 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0790 -2.3040 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -5.4580 -2.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6290 -1.9020 2.0150 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0170 5.2850 -1.8380 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M CHG 1 34 -1 M CHG 1 35 -1 M END