IBS-ZINC06662649 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -0.0340 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -0.8220 -2.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.9980 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -2.6890 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -2.0980 0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -4.1960 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -4.7270 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -6.2580 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -6.7440 -0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -6.2280 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -4.6960 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -7.8520 -0.9330 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -8.5100 -1.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -8.5410 0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -6.9520 -1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -6.5830 -3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4910 -5.8760 -3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6610 -5.5380 -3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8470 -5.9070 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8650 -6.6180 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -2.4710 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -4.5510 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -4.3510 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 -4.3930 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -6.5940 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -6.6440 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -6.5610 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -6.5920 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 -4.3630 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -4.2990 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -6.8480 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -5.5880 -4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4300 -4.9850 -3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7610 -5.6430 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 -6.9090 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 1.2850 -1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 1.5570 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 48 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 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 34 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 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 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 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 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 47 1 0 0 0 0 48 49 1 0 0 0 0 M END