IBS-ZINC02205577 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7930 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.4610 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -1.4540 3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.7890 3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.1380 1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1450 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1760 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.2310 -1.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -3.0760 -2.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.9700 -3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -2.8410 -4.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -2.8580 -4.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -3.0050 -3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -3.0910 -3.1810 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -2.9960 -3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -3.1400 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -3.1630 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 -3.0440 -2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -2.9010 -3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -2.8820 -4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -2.7470 -5.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -2.6360 -6.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7550 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.3400 -2.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 0.5770 2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -1.1870 4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -3.5570 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -4.1790 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -1.7230 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -3.2320 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -3.2740 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -3.0630 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 -2.8080 -4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 -2.5340 -7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 -1.7600 -6.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -3.5300 -6.4780 H 0 0 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 25 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 34 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 M END