PUBCHEM-ZINC04549578 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7100 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1060 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7060 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9920 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6670 -1.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6470 -2.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.9090 -3.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.5230 -4.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -1.7470 -5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -2.4040 -7.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.6720 -8.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -0.2880 -8.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 0.3730 -7.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.3470 -5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -2.3680 -9.6800 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0400 -3.5860 -9.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -1.7240 -10.7130 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0650 -2.9080 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -4.3000 2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -5.0400 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -4.4040 4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -3.0220 4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -2.2710 3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1940 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -3.6160 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -3.6030 -4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -3.4830 -7.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 0.2780 -9.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 1.4530 -7.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.7980 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -6.1190 3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -4.9880 5.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -2.5300 5.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -1.1930 3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 0.3020 -4.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 0.5060 -4.4000 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 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 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END