IBS-ZINC05210227 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 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 -2.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -3.1300 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -3.8030 -4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -4.1200 -4.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -4.7230 -5.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -3.7540 -4.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -3.9740 -4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -3.0830 -3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -2.6240 -2.2760 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -4.2030 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -2.9350 -3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -2.8120 -2.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -4.4800 -4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 -4.7250 -3.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0160 -3.8500 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 -5.0180 -4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 -6.4200 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8250 -6.5320 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -5.8780 -2.7220 O 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 -0.0060 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 -2.6760 -3.4960 -5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -5.2020 -5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -2.9330 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -2.1050 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -2.5140 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7410 -5.3630 -5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 -3.6230 -5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0130 -4.2770 -3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1460 -5.0350 -5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7310 -6.4650 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3840 -7.1950 -4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3170 -6.0120 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 -7.5780 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -4.2090 -3.8990 N 0 0 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 33 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 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 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 37 1 0 0 0 0 18 38 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 50 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M END