IFLAB-ZINC02695050 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -0.3990 -1.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -0.5670 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 0.2860 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -0.0560 -3.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 0.2640 -3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.5960 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 0.5780 -4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 0.3800 -6.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0160 -7.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 1.8330 -6.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 1.9840 -5.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -0.2390 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -1.6160 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 1.3410 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 0.0890 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 1.3200 -3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.0510 -4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -1.6470 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -0.2880 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.2620 -6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.8820 -8.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 2.3440 -7.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 2.6180 -5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 1.3690 -4.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 31 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END