PUBCHEM-ZINC05141610 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 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 3 0 0 0 0 0 0 0 0 0 -1.0260 -0.3660 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -0.4880 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -1.1840 0.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.6450 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -0.4720 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 0.0820 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 0.4530 -2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 0.2760 -2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -0.2650 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -0.4570 -1.2310 N 0 3 3 0 0 0 0 0 0 0 0 0 0.0090 0.0940 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 0.6210 -3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 0.6420 -3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 0.9400 -4.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 1.1690 -4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 1.1450 -4.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -1.9010 -1.3120 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1180 0.2550 -0.7970 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 -0.8510 1.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 0.2970 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -0.1430 3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 -2.3780 2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 -1.9380 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 -1.6300 4.2560 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 0.9240 0.3720 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.1550 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 0.8800 -2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 0.1010 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 0.6760 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6130 1.0830 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 0.7000 3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -0.4960 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -2.7560 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 -3.1650 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -2.7810 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 -1.5850 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 -1.9750 4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1350 -0.7760 4.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 -2.4350 4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 1.6960 -5.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -1.2300 3.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 2.0420 -6.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 46 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 46 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 1 12 1 M CHG 1 19 -1 M END