IFLAB-ZINC02711256 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -2.2040 0.2110 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -0.6080 0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.6190 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -1.3850 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.1450 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -2.8370 -0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -2.1040 -1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -1.3480 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -1.3290 -1.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -2.8950 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 0.1360 2.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 1.4740 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 2.0060 1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 2.2950 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 3.6820 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 4.4420 4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 3.8330 5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 2.4590 5.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 1.6860 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 4.6550 6.9460 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5380 5.8640 6.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 4.1210 8.0060 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1240 1.1970 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -0.2690 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 0.3140 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -1.4060 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -3.4440 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -3.5990 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -2.2310 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.2960 3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 4.1580 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 5.5150 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 1.9900 6.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 0.6140 4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END