IBS-ZINC05450949 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.1080 1.5380 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 0.0320 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -0.6590 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -2.0410 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -2.7400 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -2.0500 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.6570 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.7960 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -4.1400 -2.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.3520 -4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -3.1560 -4.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.2760 -3.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -5.6940 -4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -6.1580 -4.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -5.8120 -6.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -6.9030 -3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -7.1010 -2.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -7.4800 -4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -7.9130 -5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -8.4510 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 -8.5610 -4.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -8.1330 -3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -7.5990 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1450 -9.1480 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -10.5810 -5.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 -9.1560 -3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9050 -8.3040 -5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.9230 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 1.8910 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.8910 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.1160 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -2.5750 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -3.8200 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.1170 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -5.6000 -5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -6.4110 -4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -6.5350 -6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -5.8290 -5.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -4.8150 -6.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -7.8270 -6.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 -8.7860 -6.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -8.2220 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -7.2690 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4680 -11.1820 -4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0010 -11.0060 -5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4630 -10.5750 -6.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0090 -8.1360 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9040 -9.5810 -3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3710 -9.7580 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 -8.2980 -6.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8970 -8.7290 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0020 -7.2830 -5.3650 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 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 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END