PUBCHEM-ZINC05462213 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 58 0 0 1 0 0 0 0 0999 V2000 1.3820 0.5410 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -0.8930 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -1.0430 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -2.4870 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -2.6370 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -4.0820 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -4.2330 0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -4.0120 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -5.3070 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -5.0590 -3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5890 -6.3540 -4.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 -6.1060 -5.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2580 -7.3910 -6.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -4.5350 1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -4.6170 2.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 -4.8560 1.3610 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8820 -4.6640 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6730 -6.3640 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0990 -6.7600 1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0610 -5.8720 2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 -4.3960 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 -4.0310 2.3690 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9460 -4.2230 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2810 -2.5130 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 -2.1340 0.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 0.6250 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.2220 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 0.8690 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -1.2010 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -1.5520 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -0.7290 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -0.3790 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -2.8010 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -3.1500 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -2.3180 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -1.9700 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -4.4160 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -4.7440 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 -3.5550 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -3.2790 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -5.7410 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -6.0460 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5160 -4.6280 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -4.3260 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -6.7860 -4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2050 -7.0870 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -5.6780 -5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -5.3770 -5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -7.8280 -6.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -8.1310 -5.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6820 -7.1900 -7.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 -6.9310 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -6.6800 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3410 -7.8180 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0800 -6.2160 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3010 -3.8950 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3120 -4.0400 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6730 -1.8180 3.1170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 58 1 0 0 0 0 M CHG 1 58 -1 M END