IFLAB-ZINC02457727 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.0510 2.7670 2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 1.3600 2.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.5680 1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -0.8080 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -1.6100 1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -1.0420 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 0.3290 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 1.1350 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -2.0680 0.8820 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -1.2470 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -3.2700 0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 -2.4790 2.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 -1.6410 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -2.5160 3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 -3.7250 3.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -4.5630 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -3.6920 3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6010 -4.0590 4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4180 -3.3050 5.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -5.3450 5.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1420 -5.3960 6.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 -6.5930 7.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 -7.7540 6.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 -7.7020 5.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1450 -6.5060 4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 -9.0380 7.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 -9.0830 8.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 3.2810 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 3.1180 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 2.9770 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.2520 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -2.6810 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 0.7700 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 2.2060 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 -1.2150 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3520 -0.8400 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1160 -1.9640 3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7810 -2.7960 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -5.3640 3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 -4.9890 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -4.2450 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -3.4150 3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2560 -4.4980 7.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 -6.6330 8.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 -8.6000 4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2630 -6.4670 3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 -10.1580 6.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 -10.9740 7.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 47 48 1 0 0 0 0 M END