IBS-ZINC05244872 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.0580 1.6330 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.1160 0.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5010 -0.3540 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.3930 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -0.9720 1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2060 -0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -0.7740 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -0.1160 -1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 -0.6770 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0650 -1.8970 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -2.5550 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -1.9980 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3070 -2.4480 -1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4820 -3.7070 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -0.2100 1.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -0.3280 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -0.1630 0.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -0.6630 2.7670 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9770 -1.4100 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 0.6000 3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 0.3300 4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 1.2140 5.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 1.0060 7.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -0.0890 7.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.9700 6.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -0.7630 4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -1.7570 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 2.0020 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8760 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 2.1030 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 0.3220 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 0.8340 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 -0.1650 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -3.5040 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -2.5120 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5160 -4.0330 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8170 -4.4450 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2460 -3.6010 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.3420 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 1.4000 3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 0.9040 3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 2.0700 5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 1.6970 7.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -0.2550 7.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 -1.8250 6.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 -2.0230 3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -2.6520 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -1.1900 2.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -1.8720 1.7840 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 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 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 20 1 0 0 0 0 18 48 1 0 0 0 0 20 21 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 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 48 49 1 0 0 0 0 M END