IBS-ZINC04956616 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -2.0310 1.5820 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 0.1120 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -0.6670 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -2.0150 1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -2.5850 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -1.8060 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -0.4590 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -4.0550 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -4.7930 0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -6.1430 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -6.9210 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -8.2940 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -8.8910 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -8.1180 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -6.7440 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -10.3880 -0.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2110 -10.7310 -1.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9810 -10.1980 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -11.2010 -3.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -12.4140 -2.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -13.2790 -3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -12.2310 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -13.0780 -0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -8.7520 -2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -10.9750 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -11.7780 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -12.0880 2.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -11.4550 2.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -12.6500 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -10.7910 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -10.0510 0.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -12.2430 2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 2.1440 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 1.9100 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 1.7550 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.2220 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -2.6240 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -2.2510 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 0.1490 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -4.2270 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.3820 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -6.4550 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -8.9000 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -8.5870 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -6.1400 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -10.8030 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -10.3350 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -8.3170 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -8.6870 -3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -8.2070 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -9.1490 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -13.1810 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -12.3960 3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -11.4890 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 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 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 32 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 30 31 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END