CHEMSTAR-ZINC04545779 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 3.1390 2.6640 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 2.3700 1.5840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2960 3.0750 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 2.5300 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 2.1460 -0.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 1.0060 2.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 0.6350 2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.4030 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 0.9800 4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -0.2250 4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -1.0050 4.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -0.5990 3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -1.4710 3.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -1.6890 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -0.6560 5.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -0.9130 5.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -1.2950 6.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -1.5880 7.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -0.8610 4.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 -1.1930 3.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 -0.4400 4.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 -0.3550 3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 0.7440 3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4920 0.8160 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1460 -0.5350 2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1060 -1.6350 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1400 -1.7100 3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 1.9220 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 3.6580 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 2.6120 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 2.3440 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 1.6140 4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -1.9470 5.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -1.6260 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -0.9990 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -2.7040 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -0.7560 6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -0.1900 5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 -0.0890 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1000 0.5590 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0370 1.7140 3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2650 1.5660 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 1.1470 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8050 -0.7980 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7760 -0.4650 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6090 -2.6010 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5410 -1.4480 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 -2.4710 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6820 -2.0480 4.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 3.0500 0.3800 O 0 5 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 6 1 0 0 0 0 4 5 2 0 0 0 0 4 50 1 0 0 0 0 6 7 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 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 3 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 50 -1 M END