PUBCHEM-ZINC02714753 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0200 0.9380 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 0.6730 2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 2.9250 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 3.4270 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 4.9590 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 5.3890 3.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 6.7320 3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 7.1720 4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 6.5450 5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 7.5330 6.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 8.7740 6.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 8.5470 4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 9.4900 4.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 8.9730 3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 7.6760 3.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 10.0320 6.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 10.0960 7.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 11.3160 7.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9250 12.4740 7.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 12.4360 6.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 11.2190 6.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 13.6410 8.2010 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 5.1480 5.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 4.4950 7.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 3.1420 7.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 2.4390 6.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 3.0870 5.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5900 4.4390 5.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -0.1450 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.1990 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.4290 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 0.9720 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -0.3990 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 0.9200 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 3.3390 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 3.1890 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 3.0450 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 3.0510 3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 5.3410 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 5.3460 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 4.7090 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 7.4320 7.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 9.6880 2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8170 9.2250 7.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 11.3630 8.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 13.3500 6.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 11.2410 5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 5.0330 7.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 2.6370 8.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 1.3890 6.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4860 2.5400 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 4.9360 4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 1.4110 1.2840 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6480 1.1570 1.2270 H 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 53 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 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 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END