PUBCHEM-ZINC06512468 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 0.2200 1.0770 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.4330 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.7970 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.9510 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -0.7870 -2.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -1.3450 -0.7170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7520 -2.3570 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -0.2980 -1.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0670 0.6650 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -0.2660 1.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4700 -1.3170 0.8120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6780 -2.3280 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -1.0080 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -0.9450 2.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 1.0770 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 2.1620 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 3.0040 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3560 3.8620 1.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9170 4.5710 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 3.6250 3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 2.5570 3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 2.1080 4.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 2.7370 5.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8070 3.8020 5.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 4.2660 4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -1.0300 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -0.9780 3.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -0.6660 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 0.0730 -3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -0.2330 -4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8120 -1.2840 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0030 -2.0350 -3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2770 -1.7260 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4500 -2.4710 -1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 1.3380 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 1.5510 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 1.5020 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -0.8320 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.8820 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 0.9290 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 1.4730 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 3.0440 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 1.2650 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 2.3800 6.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3270 4.2760 6.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6970 5.0910 3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 0.8950 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 0.3530 -5.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3720 -1.5190 -5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 -2.8610 -3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2890 -2.9560 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -0.1040 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 -0.8960 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -1.6780 1.9500 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 52 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 34 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 54 -1 M END