IFLAB-ZINC04176828 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -1.9760 -4.8710 -4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -4.6420 -3.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -3.8030 -3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -3.2820 -4.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -3.5300 -2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -2.7940 -2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -2.6560 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -1.9650 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -1.9480 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -2.6090 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -3.2890 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -3.3210 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -4.0930 -0.6790 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -2.2220 -3.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -0.9690 -3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -0.3740 -1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -0.3180 -4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -1.0000 -5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 -0.3900 -6.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 0.8960 -6.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 1.5830 -5.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 0.9820 -4.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 2.8870 -5.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 3.1670 -5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 2.3540 -5.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2780 4.6590 -5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 5.1980 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 3.9550 -4.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 3.9300 -4.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -3.9270 -5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -5.3000 -5.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -5.5620 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -1.4470 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -1.4160 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -2.5880 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -3.8020 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -2.7260 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -2.0050 -5.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -0.9180 -7.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 1.3690 -7.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 1.5160 -3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 4.8750 -4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 5.0800 -5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 5.6830 -3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 5.8880 -5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 M END