IBS-ZINC03985020 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.0080 1.1080 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.4130 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -1.0150 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -0.7510 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -1.8910 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -2.5840 -0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -2.3070 -0.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6780 -1.5410 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 -2.4790 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -2.7750 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -1.8830 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5830 -2.5190 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4450 -2.0830 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 -3.8700 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 -4.0880 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 -5.3800 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 -6.4260 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6470 -6.2150 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 -4.9500 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -3.5760 -1.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -3.5800 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -4.7790 -3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -6.0590 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -6.0950 -1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -7.1890 -3.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -7.1630 -4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -8.2170 -5.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -6.0370 -5.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -4.8330 -4.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -3.8180 -5.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.3620 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 1.5370 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.5100 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.8150 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -0.6130 2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -2.0990 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -0.7620 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -3.3050 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -1.5620 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3040 -0.8210 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -5.5510 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8870 -7.4250 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2890 -7.0520 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2400 -4.7960 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -4.4130 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -2.6480 -3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -8.0400 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -6.0900 -6.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 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 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 M END