PUBCHEM-ZINC03678578 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 1 0 0 0 0 0999 V2000 -0.0110 0.9530 2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.2550 1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -0.6590 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -0.0420 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -0.5450 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -1.6770 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -2.2890 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -1.7900 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -2.5050 -0.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8050 -1.8940 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.8910 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -4.1210 -2.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -4.0470 -3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -4.9570 -4.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -4.5380 -5.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -3.2350 -6.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -2.3140 -5.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.7470 -3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -2.0600 -2.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -1.0880 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -5.2530 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -4.7340 0.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0910 -4.1690 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -5.8790 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -5.9150 2.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -6.7960 0.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -7.9000 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -2.2220 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 -2.3870 -1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 -2.9170 -2.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5590 -3.2950 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 -3.1390 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -2.6040 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 1.1560 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 1.7990 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 0.8480 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 0.8330 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -0.0380 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -3.1790 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -5.9750 -4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -5.2370 -6.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -2.9280 -7.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -1.3000 -5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -5.9510 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -5.8070 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -8.5710 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -7.5500 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -8.4500 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6390 -2.0950 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 -3.0320 -3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5050 -3.7110 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0610 -3.4360 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -2.5020 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -3.7450 0.6090 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2960 -3.4680 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -4.2360 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 54 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 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 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 54 1 M END