PUBCHEM-ZINC06613808 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.8800 -1.4580 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -1.8440 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -1.3900 -0.1980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4580 -0.5810 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -0.8920 0.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3460 0.0460 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -1.8900 1.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -2.6920 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -3.4490 2.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -2.6860 1.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -0.6720 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 0.5800 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 0.7850 -2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 -0.2680 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -1.5240 -2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -1.7220 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -2.6490 -3.3860 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3940 -3.7510 -2.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -2.4730 -4.3980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1350 -2.5460 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -3.6290 -0.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -2.3710 -2.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -3.5280 -3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -3.0890 -4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -4.0240 -5.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -4.9970 -4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -4.2420 -3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -0.8040 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -1.7990 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 -1.9750 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -3.2610 2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 1.3990 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 1.7630 -3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -2.6980 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -4.2150 -2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -2.0560 -4.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -3.1900 -4.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -3.4440 -6.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -4.5780 -6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -5.2020 -5.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -5.9240 -4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -4.9420 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -3.5170 -3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4510 -0.0700 -4.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 0.1950 -4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 31 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 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END