IBS-ZINC03999862 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -0.7230 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.2250 3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -1.4160 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -1.8130 4.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -1.1260 2.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -0.6930 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -0.3660 -0.3730 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -1.2980 1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 -2.7190 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -2.5670 3.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8970 -2.4630 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -3.0610 5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -4.4180 5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -5.1210 6.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -4.5160 7.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -3.2300 7.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -2.4560 6.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -1.1310 6.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -2.5930 8.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -4.7990 3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -3.5650 2.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -0.5390 2.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -0.5800 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 -1.1320 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 -2.8470 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -3.4370 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -2.8850 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -6.1760 5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.9320 7.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -2.2240 8.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -1.7630 8.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -3.3320 9.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -5.4510 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -5.2980 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.5190 4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 25 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 43 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END