PUBCHEM-ZINC01543308 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -0.0950 1.0510 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -0.3620 -0.4490 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2990 -0.3970 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -1.2930 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -2.1300 1.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -0.8060 -0.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -0.3440 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 0.5110 -2.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -0.9640 -1.3990 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7070 -2.0010 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -0.9430 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -1.8100 -3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7640 -1.5760 -5.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 -2.4340 -6.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -3.9140 -5.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -4.1650 -4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -3.3070 -3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -0.1800 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 -0.9860 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -2.1420 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3710 -0.2990 1.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 -1.0020 1.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 1.3890 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 1.7650 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.1040 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -1.5330 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6360 -1.2760 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 0.0930 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -1.4910 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -1.8000 -5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -0.5190 -5.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -2.2770 -7.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -2.1160 -6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 -4.2640 -5.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -4.4950 -6.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -5.2250 -4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -3.9470 -4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -3.4900 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 -3.6340 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 0.1270 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 0.7390 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 0.6490 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3410 -1.8860 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -1.1160 0.5880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 44 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 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 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M CHG 1 44 -1 M END