IBS-ZINC04062610 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.1690 1.4780 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.0160 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -0.2960 0.7190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3880 0.6230 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -1.1220 1.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -1.8470 1.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5880 -2.7860 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -0.5470 0.5880 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -1.9730 3.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8860 -3.0070 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.3850 3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -1.1090 3.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -1.1220 3.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -1.4650 3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 -2.5200 3.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -0.3820 4.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3240 0.3150 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 0.3740 5.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 1.7380 5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 2.4340 6.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 1.7760 7.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 0.4220 7.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -0.2750 6.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -0.8510 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -2.1030 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.8270 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 1.8340 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 1.6910 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 2.0780 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -0.2620 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 2.2690 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 3.4910 6.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 2.3180 8.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -0.0910 8.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.3310 6.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -0.5340 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -1.9040 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -0.6580 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 -1.0000 4.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -1.6170 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -0.2760 4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 0.0320 -0.4930 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 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 16 18 1 0 0 0 0 16 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 42 -1 M END