OTAVA-ZINC05284593 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -1.1080 -0.8880 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -0.4970 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -1.2900 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -0.8100 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -0.3020 -1.2190 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0060 -0.7300 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -0.7120 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 0.1300 -3.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 1.1590 -1.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 1.7510 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 1.1270 0.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 3.2190 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 4.0840 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 5.5300 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 6.4370 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 7.7920 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 8.2550 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 7.3640 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 6.0070 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 9.7110 -0.2120 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3830 10.4980 0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 10.1230 -1.3580 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0930 3.5990 -1.5690 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 1.9050 -2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.3320 -3.4340 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -0.2620 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -1.9340 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -0.7460 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 0.5700 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -2.3570 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -1.0110 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -1.0670 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -1.8880 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.3180 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 3.7100 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 6.0770 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 8.4930 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 7.7340 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 5.3130 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -2.0120 -2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -2.2260 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END