IFLAB-ZINC00958046 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.4750 0.1960 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.0220 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 0.4820 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 1.2060 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 1.4290 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 0.9180 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 2.2030 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.8640 -1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 3.2850 0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 4.0700 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 5.4460 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 6.2180 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 5.6230 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 4.2540 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 3.4750 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 6.6130 0.5720 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4780 5.8770 -0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 7.9250 0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9460 6.7040 2.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3620 5.5580 2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7620 5.6420 4.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 4.4930 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 3.2960 4.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 3.2850 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 4.3960 2.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 1.7440 -2.9880 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9030 1.4520 -4.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 2.4790 -2.8900 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.1960 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -0.5880 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.3080 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 1.0870 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 3.5200 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 5.9110 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 7.2880 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 3.7930 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 2.4060 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9350 7.5570 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 6.5900 4.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4890 4.5280 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4880 2.3810 4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7610 2.3560 2.2340 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END