IFLAB-ZINC00121956 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 -1.5650 -2.4940 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -1.8850 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -0.8440 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -0.5830 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 0.3490 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 0.3310 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -0.6080 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -1.5360 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -1.5360 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -2.3160 -0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -3.0580 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -0.0880 2.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4130 -0.7920 3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 0.8460 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 2.1170 2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 2.9770 2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 2.5660 3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 1.2860 4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 0.4310 3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 1.1250 5.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 2.4550 5.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 3.2080 4.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 0.7220 2.0670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1680 1.3430 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 1.6130 3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -0.1920 1.7390 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9370 -0.9400 2.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -0.2040 0.6140 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3860 -2.0070 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -3.5590 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -2.3560 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 1.0830 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 1.0520 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -0.6100 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -2.2620 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 2.4390 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 3.9700 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -0.5610 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 2.8550 6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2810 2.4590 5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 2.2930 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 2.1890 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 0.9910 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 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 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END