PUBCHEM-ZINC05689917 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -2.5650 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -3.9240 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -4.8880 -0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -4.7400 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -6.0930 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -5.8330 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -4.4890 -0.2170 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4870 -3.7850 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 -3.4190 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 -4.1920 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4210 -3.8560 -3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -2.7480 -3.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9420 -1.9740 -3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -2.3060 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -1.5460 -1.5220 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -6.9620 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 -6.7840 -0.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -8.2070 -0.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -8.4080 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -9.5450 -0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -7.3950 -0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -7.6810 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 -9.3540 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -1.9480 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -4.4320 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -2.8790 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 -5.0590 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 -4.4610 -3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 -2.4860 -4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -1.1080 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -7.8400 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -8.5760 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -6.8370 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -9.5490 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 -10.2320 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2860 -9.1360 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 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 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 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 47 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 28 52 1 0 0 0 0 M CHG 1 12 1 M END