PUBCHEM-ZINC05736133 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.4910 1.4640 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.0140 0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9770 -0.6310 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -0.4460 1.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3070 0.1990 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -0.0470 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 0.3430 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -0.1900 -2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -1.3210 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -2.2500 -3.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -1.3080 -4.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.3140 -5.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -2.3450 -7.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -1.3740 -7.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -0.3720 -6.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -0.3360 -5.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -1.9920 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -0.0790 2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -0.5430 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -0.2290 4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.5540 5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 1.0100 4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 0.7020 3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 1.7690 5.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 2.1460 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 1.7250 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 1.6810 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 1.2860 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -0.1740 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 0.5260 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -1.1000 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 1.4240 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 0.0090 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 0.7930 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.2910 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -3.0820 -5.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -3.1270 -7.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -1.3980 -8.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 0.3820 -6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 0.4590 -4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -2.3730 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -2.3090 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -2.5140 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -1.1680 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -0.6000 4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 0.8010 6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 1.0770 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 1.9860 5.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.3290 -1.3230 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7550 -1.3460 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 49 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 49 1 0 0 0 0 9 10 2 0 0 0 0 9 11 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 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END