PUBCHEM-ZINC06511299 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 0.5280 0.0870 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -1.2390 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.3180 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -1.0750 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 -0.8040 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -0.6530 2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -0.7720 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -1.0420 3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -1.1890 2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -1.4570 1.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -2.0700 2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -2.3250 3.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -2.4390 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -3.0730 3.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 -3.4710 3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -3.2600 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3770 -3.6830 2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 -4.2960 3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -4.4810 4.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9240 -4.0990 4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -4.3160 5.9230 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0510 -3.9600 5.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 -4.8660 6.8740 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5770 0.3810 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.0320 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.8560 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -1.5340 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -2.0240 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -3.2630 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -2.4370 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -0.7110 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -0.4420 2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -0.6540 4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -1.1360 4.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -1.2010 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 -1.5380 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -3.1230 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -2.7770 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9800 -3.5350 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9400 -4.6280 3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END