CHEMSTAR-ZINC04113363 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0010 1.2960 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.0640 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -0.6430 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 0.1520 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 1.5150 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 2.0860 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 2.1640 -0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 3.5660 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 4.0610 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 4.2710 -1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 4.7040 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7840 4.9220 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7950 4.7100 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 4.2760 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 5.3720 -2.4630 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9490 5.5700 -3.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 5.5300 -1.7720 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9070 -2.0710 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.7220 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -2.1790 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -1.0120 -1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -3.1860 -1.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -4.4570 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -5.8710 -2.4670 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -4.4200 -0.7040 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -2.8440 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -2.5710 -4.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -2.3740 -4.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 1.7400 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -0.6610 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -0.2830 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 3.1380 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 4.0910 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 3.7750 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 4.0870 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 4.8560 -3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6930 4.8680 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 4.1000 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -2.6140 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -3.6580 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -1.9430 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -2.5780 -4.9480 O 0 5 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 42 -1 M END