PUBCHEM-ZINC05576850 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 1.2930 0.2630 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.7120 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -1.3270 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -2.1770 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -2.0250 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -1.1330 -0.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -2.7110 -2.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -3.5160 -2.0700 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0430 -1.1250 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -1.3750 3.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.9160 4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -0.8830 5.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.4220 6.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 0.0090 7.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -0.0470 6.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -0.5100 5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 0.5210 8.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 0.5350 9.3050 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1570 -0.2490 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 0.8100 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 0.9950 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -2.8260 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -0.0890 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -1.8080 3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -1.2090 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.3940 7.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 0.2740 7.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.5430 5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -2.4600 -3.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.9010 9.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 2 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 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 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 30 2 0 0 0 0 M CHG 1 8 -1 M CHG 1 18 -1 M END