PUBCHEM-ZINC04450523 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.4090 1.1460 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -0.2560 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -0.7490 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 0.0470 2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.5380 3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -1.9330 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -2.7340 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.1520 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -2.8570 0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -4.2660 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -4.8460 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -4.0820 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.6710 -3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -6.0300 -3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -6.8030 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -6.2090 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -6.9690 -0.0400 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 0.3220 4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 1.5200 6.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 1.7900 7.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 0.8840 8.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 1.1580 9.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 2.3320 9.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 3.2270 8.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 2.9390 7.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 1.6880 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 1.3490 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 1.5010 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.1300 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -2.4200 4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -3.8110 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -4.4800 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -4.7360 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -3.0220 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -4.0670 -4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -6.4840 -4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -7.8620 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -0.1790 4.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 1.2750 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 2.4490 5.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 1.0210 6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -0.0330 8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 0.4740 10.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 2.5910 10.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 3.6910 6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.6350 5.3070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7040 1.0660 4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -0.2470 5.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 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 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END