IBS-ZINC05484950 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.7730 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0730 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7720 -2.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -3.1290 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -3.8020 -4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1200 -4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -4.7230 -5.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -3.7550 -4.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -3.9750 -4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -3.0840 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -2.7580 -2.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -4.2020 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -2.9340 -3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -2.8120 -2.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 -4.4780 -4.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9220 -4.7230 -3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2360 -5.0010 -4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5860 -6.2980 -4.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7910 -6.5520 -5.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6480 -5.5100 -5.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2980 -4.2120 -5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0950 -3.9580 -4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6250 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.8530 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2700 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5190 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0180 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -3.4950 -5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -5.2010 -5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -2.9310 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -2.1040 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -2.5130 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -5.3610 -5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 -3.6220 -5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -5.5800 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -3.8400 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9170 -7.1120 -4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0640 -7.5660 -5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5890 -5.7080 -5.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9670 -3.3980 -5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 -2.9450 -4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -4.2080 -3.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 16 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 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 52 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END