IFLAB-ZINC04248452 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.2500 1.4550 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 0.0620 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.3790 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -1.6180 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -2.4510 0.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -3.7350 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -4.0870 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -3.0490 -0.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -2.0780 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -0.7650 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -5.3710 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -5.3320 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -6.6170 1.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -6.9640 2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 -6.2000 3.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -8.3770 2.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4200 -8.3640 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9770 -8.6410 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -9.1110 4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -9.5360 4.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -9.6450 3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -9.5260 2.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4350 -10.4570 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -9.5320 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -8.6670 0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 2.1870 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 1.5710 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 1.7010 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.3010 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -2.0090 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -4.2750 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -0.4620 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -5.6070 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -6.1840 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -5.0490 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -4.5960 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -7.3560 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5810 -7.7420 3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 -9.4150 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0610 -9.0760 5.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -9.8300 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -8.8770 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 -10.6160 3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -10.3840 1.2500 O 0 5 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 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 44 -1 M END