PUBCHEM-ZINC04313623 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 2.1220 1.2020 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -0.1740 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -0.7730 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 0.0090 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 1.3920 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 1.9900 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 3.3820 0.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 4.2090 0.6460 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8880 3.6770 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 5.5260 -0.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1440 5.3200 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 6.4100 0.4040 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0600 5.9190 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 6.6280 1.9060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7200 7.2100 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 5.2680 2.6080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7830 4.7510 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 4.4850 2.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 5.4760 4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 4.2170 4.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 7.3310 2.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 7.6690 -0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 6.1970 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.5970 0.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -2.2480 0.1430 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6450 -2.9380 0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.7720 -0.2080 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0510 1.6670 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -0.7840 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 2.0020 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 3.8000 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 5.9120 4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 6.1470 4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 4.2730 5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 8.2000 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 7.6040 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 5.6920 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -1.5580 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.0560 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END