CHEMBRIDGE-ZINC00469966 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1650 -0.6340 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 0.0460 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 1.3710 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 2.0610 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -0.8330 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 0.5540 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 0.0280 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6050 -1.1680 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 0.8860 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7440 0.4000 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8640 1.1820 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0980 0.4190 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8810 -0.9020 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1600 -1.2500 -0.0850 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9790 -1.9480 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2890 -1.2800 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5060 -0.0220 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4850 1.0420 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8240 2.6130 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7920 3.7490 -0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.9210 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.5630 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 3.1410 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 1.1680 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 1.1580 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 1.8420 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -2.3740 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7230 -2.7360 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1180 -1.9710 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2330 -1.0070 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3750 -0.2640 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5140 0.3580 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7160 1.4020 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5180 1.8720 0.5940 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 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 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 3 0 0 0 0 M END