PUBCHEM-ZINC06308037 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.3520 2.1870 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 0.8320 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.3090 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -0.4800 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -0.6740 1.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0870 0.2720 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 0.7040 -0.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 0.5590 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -2.1190 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -2.4870 -0.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -3.0990 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -4.3650 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -5.2990 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -5.2040 3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -6.3320 4.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -7.0730 3.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -6.4260 2.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 -6.7630 5.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 -5.5220 5.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6090 -4.6520 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 -4.2500 3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -3.2090 2.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -0.5070 2.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -0.3190 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.3550 5.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -0.1150 5.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -0.0060 4.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 0.8970 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 2.3900 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 3.0080 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 2.2220 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -1.2610 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -0.1210 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 1.4190 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.3070 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -3.3380 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -2.6070 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -4.0990 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -4.8810 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -7.5080 4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -7.2180 5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 -5.8340 6.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -4.9070 6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3980 -5.1950 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0430 -3.7390 4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -0.4150 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.1170 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 0.6500 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 0.4080 5.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -1.3270 5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 1.0990 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -0.0480 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 1.6900 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -0.0490 6.9910 O 0 5 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 3 1 0 0 0 0 2 8 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 23 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 46 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M CHG 1 54 -1 M END