IBS-ZINC02128553 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.0250 0.6810 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -0.7850 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -0.9880 1.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7640 -0.6050 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -2.4800 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.2370 2.4780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9130 -0.5330 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.5700 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.0150 3.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -1.4860 4.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -2.3040 4.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -3.5560 5.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.9450 6.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -1.8390 5.9060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9680 -2.2080 5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.6320 6.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 0.4220 6.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 1.2050 2.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.7760 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 3.0450 1.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 3.9030 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 5.2680 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 6.1020 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 5.6040 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 4.2610 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 3.3990 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 1.9560 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 1.4580 2.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 1.0020 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 0.7870 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.2970 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -1.0480 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -1.4200 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -3.0040 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -2.6190 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -2.8800 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -1.7580 4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -2.5920 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -4.0050 5.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -4.2840 4.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -2.5210 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -3.6910 7.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 1.1410 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 5.6670 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 7.1580 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 6.2740 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 3.8790 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -0.7280 8.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 0.0730 8.5990 H 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 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 16 48 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 48 49 1 0 0 0 0 M END