IFLAB-ZINC05258535 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.0740 1.5040 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.0260 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.5200 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -2.0500 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -3.9920 2.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5970 -4.4000 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -4.4660 3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -4.0990 4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -3.5150 4.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -4.4190 5.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -3.9800 6.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -2.8380 6.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -2.4040 7.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -3.1020 8.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -4.2370 8.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -4.6920 7.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -5.9080 8.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -6.2470 7.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -6.6440 9.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -7.8290 9.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -4.4660 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -3.6640 1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 1.8930 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 1.8560 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.8520 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -0.4150 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.3740 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -0.1310 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.1720 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -2.4390 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -2.3980 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -5.5480 3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -3.9880 4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -4.9550 6.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -2.2890 5.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -1.5150 6.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -2.7540 8.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -4.7760 9.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -8.5070 8.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -7.5400 9.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -8.3280 10.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -2.5240 2.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -2.1260 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -5.7800 1.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -6.0360 0.9910 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 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 42 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 M END