CHEMDIV-ZINC00092029 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 1.7940 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 2.2600 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 2.4570 -2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 2.4850 -3.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 2.8070 -4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 2.2590 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 1.8270 -2.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 2.5560 -4.8830 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 2.1000 -4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 2.2790 -5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 1.9860 -5.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 1.6700 -4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 2.1300 -6.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 1.8710 -5.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 2.6120 -7.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 2.7940 -8.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 3.2470 -9.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 3.5230 -9.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 3.3500 -8.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 2.8910 -7.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 2.7010 -6.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 1.5280 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.8100 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 3.2340 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 2.7370 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 1.0580 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 2.5810 -8.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 3.3890 -10.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 3.8780 -10.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 3.5680 -8.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 1.1450 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 0.7920 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 3.3790 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 4.1520 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 2.6640 0.9760 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 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 23 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 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 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END