IBS-ZINC05026997 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1370 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4900 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.6300 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0080 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7540 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 0.3340 4.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6650 1.3450 3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 0.3780 5.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3660 -0.2500 6.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -0.6190 5.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -1.1490 6.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 -0.2880 4.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -0.5200 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 0.6970 3.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 0.8350 5.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 1.9480 5.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 1.9980 6.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5450 0.8430 6.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -0.4190 7.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 1.8030 5.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 2.7070 5.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 2.0860 6.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 3.3360 6.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 3.3220 7.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 2.1070 7.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 0.8950 7.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.3560 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7080 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.9610 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 -1.4020 4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 -0.6780 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 0.5630 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 1.5930 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 1.8400 4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 2.8700 5.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 2.8960 6.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 2.0170 7.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9060 0.8080 7.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -0.2030 5.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 4.2410 6.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 4.2240 7.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 1.9210 8.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 48 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 M END