PUBCHEM-ZINC05759684 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 39 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -2.8860 -0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -2.7380 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -2.5010 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -3.2550 1.3640 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9170 -3.9980 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 -3.9020 2.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7240 -3.1590 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -5.0520 2.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -5.6100 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -5.1360 5.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2700 -4.4200 2.8690 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6770 -5.2660 2.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9980 -4.0040 3.7530 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7180 -2.1220 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -0.9980 1.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -5.8360 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -4.6840 2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -2.0440 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -6.6330 4.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 -2.3620 1.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -2.4270 -1.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.1380 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6280 -1.6040 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -6.9560 5.5570 H 0 0 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 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 37 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 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 34 37 1 0 0 0 0 35 40 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END