CHEMBRIDGE-ZINC04036970 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0850 1.4730 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.0590 0.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -0.5820 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 0.1360 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -0.5120 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 -1.8900 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -2.6140 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -1.9600 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -2.6620 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.0720 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -2.5880 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 -1.9710 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1860 -2.9540 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 -4.1480 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9410 -5.0230 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -3.8890 0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6500 -2.7580 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2030 -1.8750 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5720 -1.6870 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4150 -2.3740 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8670 -3.2590 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4850 -3.4560 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9580 -4.3170 1.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7130 -3.8050 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0120 -3.8020 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1030 -3.2310 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7540 -2.3910 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0960 -0.8270 -1.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4380 -1.3700 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3870 -1.2000 -1.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 1.8590 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.9460 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 1.6940 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 1.2050 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 0.0500 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -3.6820 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -4.5090 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -4.5200 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -4.2600 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 -0.9100 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0760 -2.9230 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6590 -3.5350 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2150 -4.5670 3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9810 -4.5180 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1160 -3.4180 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5470 -1.7880 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1840 -2.1550 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8450 -0.5810 -3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2140 -1.6660 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 28 29 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 M END