PUBCHEM-ZINC04521718 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 60 0 0 0 0 0 0 0 0999 V2000 3.6430 3.7040 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 3.8920 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 4.1760 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 4.2700 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 4.0800 -1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 3.7980 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 5.4130 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 6.0230 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 7.0120 -0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 7.3670 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 8.0920 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 7.3320 -3.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 7.7010 -3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 6.5810 -4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 4.7030 -3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 4.1220 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 3.0940 -1.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 2.7170 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 2.0040 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 2.8070 0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 2.4030 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 3.4720 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 4.3790 -2.2750 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3610 4.2960 -1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 4.6280 -3.4620 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5420 3.4780 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7770 3.8190 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 4.4920 -3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 4.1540 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 4.2180 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 2.5450 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 5.6160 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 5.8520 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 6.4860 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 5.2400 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 8.0230 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 6.4650 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 8.2050 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 9.0760 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 7.8600 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 8.6190 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 6.9470 -5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 5.7370 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 4.2270 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 4.5200 -4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 4.9110 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 3.7050 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 3.6080 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 2.0470 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 1.0420 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 1.8440 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.4580 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 2.2780 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 4.3010 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 3.0420 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 3.9610 1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 6.1500 -3.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 6.4140 -2.4940 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END