PUBCHEM-ZINC04550068 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0470 1.5640 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.0580 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.6760 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.3860 0.7170 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.0830 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.7340 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.1580 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 0.1100 -3.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 0.0740 -3.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 0.6460 -4.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2610 0.3240 -4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 2.1730 -4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 0.1830 -5.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -0.4830 -4.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 0.5070 -6.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 0.0000 -7.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -0.1800 -6.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -0.6820 -7.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 -1.0040 -8.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -0.8260 -9.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -0.3200 -8.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.1240 -9.3040 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9130 -0.3100 -10.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 0.2240 -8.6300 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0650 -3.0640 -1.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -4.3650 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -4.6770 -0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -5.4320 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.1160 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.9560 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 1.9160 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.9100 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 2.6030 -5.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 2.4960 -3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 2.5090 -3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 1.0930 -6.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 0.0710 -5.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8190 -0.8220 -7.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4840 -1.3960 -9.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -1.0790 -10.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -2.8150 -2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -5.6610 -2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -6.3320 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -5.0750 -3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -0.0090 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.7930 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 0.8590 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 29 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 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 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END