IFLAB-ZINC04339786 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 0.2230 0.8630 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 1.2090 3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 1.9450 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 1.7950 3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 1.0590 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 2.1410 5.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 1.4960 5.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 0.3940 6.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -0.2120 6.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9390 0.2780 5.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 1.3870 4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4700 2.0100 4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 3.0570 4.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 3.2080 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 4.1640 2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 5.2650 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 5.1690 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 6.2100 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 7.3520 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 7.4570 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 6.4200 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9740 6.5220 1.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3860 7.7260 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 6.1190 2.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 7.2320 2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6000 2.1420 4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7740 1.9350 3.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -0.1010 7.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -0.2170 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 1.2510 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 1.0880 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 1.5490 3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.1360 3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 1.7130 5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 3.0190 4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 2.8670 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 1.4540 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -0.0150 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 1.2900 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 3.2050 5.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 2.0100 6.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -1.0700 7.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9100 -0.1930 5.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0710 4.1130 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 4.2830 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 8.1630 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 8.3480 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1820 8.5780 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8360 7.8400 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4550 7.6780 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 8.1240 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 7.0290 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 7.3900 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 0.2910 8.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 1.4910 2.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 1.5120 4.5800 N 0 0 0 0 0 0 0 0 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 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 55 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 56 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 56 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 55 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 28 54 1 0 0 0 0 M END