PUBCHEM-ZINC06126191 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.1100 1.4240 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.0040 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -0.6140 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 0.0500 1.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -2.0260 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -2.7620 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -4.1240 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -4.4850 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -3.1220 -0.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -2.1930 3.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.9800 4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -4.1920 4.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -2.3790 5.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 -3.1670 6.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 -2.5620 7.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -1.1710 7.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 -0.6120 8.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -1.4240 9.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -2.8010 9.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -3.3750 8.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 -3.6600 10.8120 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0580 -3.1550 11.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 -4.8730 10.7050 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9070 1.8160 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.7860 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.7610 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -4.8450 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -5.5080 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -1.2310 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -1.3040 5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2410 6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.5360 6.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 0.4620 8.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -0.9800 10.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -4.4500 8.5050 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 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 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 35 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