PUBCHEM-ZINC05557543 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -4.4180 -1.5900 -4.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4280 -1.4380 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 -1.1910 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 -1.1610 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -2.4540 0.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -2.9600 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 -2.9200 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 -3.1550 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -4.2660 1.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 -2.5750 2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 -3.4030 3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 -2.8590 4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2490 -1.4860 5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 -0.6590 4.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -1.1980 3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9110 -0.9400 6.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 0.1740 7.1080 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5790 1.1360 6.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0610 0.5080 8.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -0.6480 7.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -0.5810 7.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -1.2250 7.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -1.9370 9.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 -2.0030 9.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -1.3550 9.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 -2.7660 10.9140 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2230 -3.3340 11.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -2.8240 11.4050 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9320 -1.4960 -5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -0.8120 -4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -2.5690 -4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9030 -0.4590 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -2.2160 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 -1.9230 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 -0.2050 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -0.3600 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -0.9980 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -2.3320 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -3.9860 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -3.1870 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -3.6280 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -4.4680 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 -3.4980 5.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 0.4060 4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -0.5560 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8200 -1.2100 6.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -0.0250 6.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -1.1730 7.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -2.4410 9.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -1.4040 9.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -1.5640 -2.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 7 51 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 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 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END