OTAVA-ZINC04649735 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.4470 1.6320 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 0.2750 0.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -0.4060 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -1.7270 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -2.4180 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -1.7930 3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -0.4770 3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 0.2200 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -2.5490 4.3270 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4400 -3.6200 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -2.1440 5.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -2.5690 5.7750 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1990 -3.1140 6.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -2.3770 4.8380 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0720 -2.2180 4.2830 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8180 -2.9760 5.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -2.0930 6.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3840 0.0030 6.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -0.7870 5.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -2.4450 3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -0.7620 4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 0.2140 4.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -4.4400 5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 -5.2730 4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -6.6430 4.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 -7.1960 5.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 -6.3820 6.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -5.0050 6.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -4.2040 7.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 2.2070 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 2.0580 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 1.6660 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -2.2150 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -3.4460 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 0.0080 4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 1.2500 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -2.6230 6.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -1.0620 5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -4.8460 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -7.2860 3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -8.2690 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 -6.8220 7.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 -3.9870 8.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END