IFLAB-ZINC04482954 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.8240 1.5150 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 0.0420 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -0.6050 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -1.9740 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -2.7250 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -2.0670 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.6980 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -4.1750 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -4.7890 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -6.2410 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -6.9640 -2.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.4070 -3.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4390 -5.4130 -3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -7.3290 -4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -7.2250 -4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -7.9680 -6.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -8.6890 -6.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -6.2930 -3.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -7.3290 -4.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -6.9000 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -8.2680 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -8.8920 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -8.1250 2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -6.7610 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -6.1530 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -4.8110 1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -10.3490 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.8360 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 2.0710 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 1.7710 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.0490 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -2.4480 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -2.6120 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -0.2160 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -4.2510 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -8.3730 -4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -7.0630 -5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -6.1690 -4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -7.6010 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -8.8510 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -8.5870 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -6.1750 3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -10.4800 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -10.7920 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -10.9020 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 -7.7620 -6.1820 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0090 -5.1390 -3.4230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 46 -1 M CHG 1 47 -1 M END