IFLAB-ZINC05154861 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 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 -0.1720 2.2920 -2.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 1.2030 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.1360 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -1.1440 -1.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -0.2180 -3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 1.1030 0.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 2.7890 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 3.1600 1.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 2.4980 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 4.4480 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 4.7890 3.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 5.3860 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 4.9560 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 3.6640 -0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 5.9210 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 5.4880 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 6.3910 -2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 7.7240 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 8.1590 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 7.2660 -0.3310 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 -2.6630 1.9550 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -0.3240 -3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -1.0790 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 0.6920 -4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 6.4240 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 4.4480 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 6.0570 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 8.4270 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 9.2000 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 7.6080 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 30 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END