PUBCHEM-ZINC03626218 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.4110 0.8760 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.0160 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 1.5470 3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 1.0170 4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 0.6080 5.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 3.0000 1.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1430 3.4770 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 3.5000 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 3.8880 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 4.3470 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 4.4170 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 4.0280 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 3.5650 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 3.1440 1.1470 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7880 3.0990 1.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 2.8410 2.1840 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0600 4.8960 -3.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 4.7320 -4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 4.7820 -3.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 3.3350 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 2.5400 0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 4.5190 1.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 4.8910 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 5.8930 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 6.2810 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 6.9170 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 5.9150 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 5.5270 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -0.1650 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 0.9180 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 1.3800 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 1.3340 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -0.0730 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 2.6360 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 1.2280 3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 3.8320 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 4.0820 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 3.7690 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 5.5460 -5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 5.1240 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 4.0000 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 6.7830 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 5.4400 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 6.9950 3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 5.3910 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 7.8080 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 7.1940 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 6.3680 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 5.0250 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 4.8130 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 6.4170 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 1.5440 1.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 28 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 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END