IBS-ZINC01775713 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.1250 1.7670 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 0.6970 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -0.1690 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -1.2380 1.6270 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -0.4410 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 0.5140 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -0.7960 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.2010 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 0.5200 2.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.1020 3.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.7400 5.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -1.9540 5.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -1.9600 7.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -3.0520 5.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.6130 3.7340 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8220 -2.9820 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -3.1080 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -3.4930 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -3.9480 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -4.0180 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -3.6330 3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -3.1730 3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5890 1.2440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -4.4400 5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -4.9380 5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -6.3880 6.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -6.8640 6.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -7.4810 5.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -7.7490 5.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -7.3090 6.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -6.7830 7.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 0.5330 5.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 1.3670 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 2.6140 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 2.0940 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -0.2230 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -0.5600 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -1.8610 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -3.4390 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -4.2480 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 -3.6870 3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -2.8680 4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -5.0640 4.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -4.4950 6.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -4.3140 6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -4.8830 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -7.0110 5.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -6.4420 7.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -7.7080 4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -8.2340 5.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -6.3510 8.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 0.6020 6.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END