OTAVA-ZINC05552148 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.0390 1.9240 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 0.4190 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -0.3070 1.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.0730 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -1.8090 3.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -2.5310 3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -3.2160 4.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -2.4370 3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -3.0870 4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -3.8100 5.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -4.6130 6.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 -5.1420 7.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -4.6930 7.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -3.9110 6.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -5.0320 8.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -5.8680 9.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -6.1810 10.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -5.6750 9.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -4.8490 8.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -4.5290 7.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -4.3160 8.7450 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0990 -4.6250 9.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -3.5310 7.7300 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6940 -1.3570 2.2400 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -1.7980 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -0.6770 4.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 2.2160 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 2.4640 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 2.1640 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 0.1260 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 0.1790 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -3.0220 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -4.7560 5.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -5.7880 7.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -6.2630 9.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -6.8230 10.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -5.9250 10.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -3.8890 7.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -2.7560 3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -1.6300 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 0.2810 3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -0.8450 5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 -0.6690 4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END