IBS-ZINC05026775 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 1.1100 -1.3160 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.1220 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.6140 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.7800 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -1.1060 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -1.2370 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -1.2540 -2.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -1.1110 -3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -1.2570 -4.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -0.8160 -3.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -0.6340 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -0.3610 -2.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -0.6880 -4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 0.5520 -5.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 0.6770 -6.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.4350 -7.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -1.6740 -6.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -1.8020 -5.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.3100 -8.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -1.4970 -9.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -0.8930 1.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.5990 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -1.0020 3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -2.2820 4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -2.6080 5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -1.6530 5.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -0.4450 5.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -0.0980 4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -0.9600 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -1.9760 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -1.8630 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 0.4250 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 0.5380 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -1.4680 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 1.4180 -4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 1.6420 -6.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -2.5390 -7.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -2.7670 -5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -2.2330 -8.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -1.9040 -9.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -1.2580 -10.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -1.2880 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -1.1570 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 0.4690 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -3.0070 3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -3.5950 5.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -1.8990 6.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 0.9020 3.8290 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 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 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 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 39 1 0 0 0 0 20 40 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 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 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 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 48 1 0 0 0 0 M END