PUBCHEM-ZINC04164034 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 0.4420 2.1410 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.0050 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 0.0850 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 0.3060 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 1.4370 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 2.3550 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.7000 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -1.8750 -0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.1720 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -0.9000 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -0.1930 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 -0.9350 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 -2.2730 0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -2.8450 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1090 -2.2510 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 -0.0080 0.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8740 1.2280 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 1.1540 -0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8790 -0.2900 0.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0080 -1.3240 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5870 -0.1430 1.5510 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4670 -1.0980 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0280 -0.0650 1.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3650 -1.0850 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9480 0.7140 -0.2820 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6380 0.2830 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6050 0.5160 -0.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2290 2.2120 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4800 2.7330 -1.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9930 3.9880 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2500 4.7120 -0.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2150 4.3900 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7000 5.6810 -3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9280 6.1060 -4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6740 5.2450 -5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1930 3.9590 -5.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9650 3.5310 -4.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9260 0.4510 1.8940 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 0.9790 2.1760 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3670 2.8560 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 0.8360 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.8020 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 1.6120 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 3.2340 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 0.8330 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 -3.9280 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4620 2.1370 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3700 2.7520 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1180 2.3810 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9010 6.3640 -2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3040 7.1080 -4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8510 5.5760 -6.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9910 3.2860 -6.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5910 2.5220 -3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 40 1 0 0 0 0 2 3 2 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 50 1 0 0 0 0 34 35 1 0 0 0 0 34 51 1 0 0 0 0 35 36 2 0 0 0 0 35 52 1 0 0 0 0 36 37 1 0 0 0 0 36 53 1 0 0 0 0 37 54 1 0 0 0 0 M CHG 1 39 -1 M END