IBS-ZINC04857111 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 1.3510 -1.0410 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -0.3080 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -0.5130 -3.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9080 -0.0630 -3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -2.0110 -3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -2.2080 -5.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -1.5920 -6.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.0890 -5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.1160 -4.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 0.8620 -4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 1.0940 -2.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 1.4080 -5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 2.2130 -4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 2.7670 -5.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 3.5380 -4.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 4.8330 -4.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 5.4280 -4.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 5.4910 -3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 6.8090 -3.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 7.6440 -3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 8.9670 -3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 9.5370 -3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 8.7160 -3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 7.1550 -3.2240 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1960 4.2110 -3.2770 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2600 2.9420 -4.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 1.2910 -4.2470 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -2.1150 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -0.7100 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -0.8200 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -0.7050 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 0.7560 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -2.4700 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.4770 -3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -1.7210 -5.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -3.2730 -5.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -1.7530 -7.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -2.0620 -6.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 0.3960 -6.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 0.3360 -6.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 2.0540 -5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 0.5820 -5.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 1.5670 -3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 3.0380 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 3.4140 -6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 1.9420 -5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 7.2150 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 9.5070 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 10.5720 -4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 9.0050 -3.6460 H 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END