PUBCHEM-ZINC03745473 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -1.1900 1.2050 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -0.1620 -0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.5710 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.2550 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -0.2430 -3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -1.5600 -3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.3970 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -1.9220 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.8220 0.0600 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8640 -2.3710 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -2.9240 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -2.2440 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -2.5770 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -2.1100 4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -2.5880 4.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -3.5260 4.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -4.0030 2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -3.5180 2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -3.9560 0.8570 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -5.0460 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -5.8980 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -4.9280 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -4.1340 -1.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9920 -3.0900 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -4.7650 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -5.3100 -2.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -2.0360 -4.1780 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 1.8680 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 1.4510 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 1.3580 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.2940 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 0.3940 -4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -3.4140 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -1.5280 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -1.3750 4.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 -2.2240 5.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -3.8920 4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -4.7360 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -4.3870 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -5.6340 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -6.7260 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -6.3200 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -5.4500 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -4.2540 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -4.1860 -0.3570 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2130 -4.6990 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -4.6600 -3.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -5.0870 -4.4790 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 33 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 45 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 34 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 45 1 M END