PUBCHEM-ZINC05985960 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.0920 0.7430 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 1.1290 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 3.0080 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 3.4290 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 4.8680 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 5.8180 -0.7640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0380 5.6600 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 7.2340 -0.3860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5210 8.0340 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 9.5080 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 10.1560 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 11.5300 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 12.2780 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 11.6290 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 10.2570 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 7.4940 1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 6.9360 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 7.7540 1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 5.4680 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 4.9550 1.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 5.5680 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 5.6340 -3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 5.3940 -4.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 5.0860 -5.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 5.0390 -4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 5.2820 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 4.8160 -6.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 4.8570 -7.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 4.5220 -6.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 4.2510 -8.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -0.3220 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 1.0970 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 0.9160 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 1.4450 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.0460 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 1.6360 3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 3.3330 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 3.4440 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 3.1300 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 2.9340 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 9.6140 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 12.0820 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 12.2650 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 9.8210 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 7.7660 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 5.8680 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 5.4470 -4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 4.8130 -4.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 5.2320 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 5.1260 -8.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 3.3770 -8.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 4.0320 -8.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.5000 1.3690 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6540 1.1910 1.4750 H 0 0 0 0 0 0 0 0 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 1 53 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 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 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END