IFLAB-ZINC00612516 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 0 0 0 0 0 0999 V2000 0.0150 1.5200 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 0.0400 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -0.7580 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -2.1510 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -2.7700 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -1.9670 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -0.5950 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 0.2870 -2.8050 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 0.9880 -2.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 1.0060 -2.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -0.8860 -4.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -1.4800 -4.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -1.5180 -4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -2.7080 -3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -3.8130 -3.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -4.2110 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -4.2610 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -4.6500 -1.5140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0460 1.7710 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 2.0830 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 1.8570 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.3030 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -2.7570 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.4640 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -1.0070 -5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -2.5550 -4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -1.3340 -3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -1.8420 -5.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -0.7550 -4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -3.0490 -3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -2.4310 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -4.9930 0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 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 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 32 2 0 0 0 0 M CHG 1 18 -1 M END