OTAVA-ZINC04012719 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.5270 1.2500 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -0.0820 -0.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -0.8280 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -0.1490 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 1.2280 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.9920 -0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 1.6250 0.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 0.4960 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -0.5940 0.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 2.9870 0.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6680 3.6170 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 3.5280 2.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8660 2.7070 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 4.4920 1.9830 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2200 4.7040 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5200 3.7700 0.9520 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1600 3.0270 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 3.0080 0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 4.6830 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 3.8850 -0.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 3.2290 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 5.7380 1.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 5.6760 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 4.2350 2.5570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2620 -2.1990 0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.8330 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -4.3390 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -4.9990 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -6.5140 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -7.0670 0.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 1.7930 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 0.5330 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 5.3190 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 5.3130 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -2.7230 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -2.4200 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -2.6360 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -4.7620 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -4.5480 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -4.5690 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -4.7830 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -7.0300 -0.6240 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 31 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 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 21 1 0 0 0 0 22 23 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 29 30 2 0 0 0 0 29 42 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 42 -1 M END