CHEMBRIDGE-ZINC00531558 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3680 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 1.2260 -0.7040 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0310 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4230 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0910 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 3.4900 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 3.9880 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 5.5180 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 6.0320 -1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 5.5680 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 4.0390 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -1.0980 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -2.4570 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -2.0380 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -3.7850 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.8910 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 1.9820 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 3.6690 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 3.5900 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 5.8940 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 5.8360 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 5.9800 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 5.8880 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 3.6780 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 3.7200 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -4.0230 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -4.4810 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M END