PUBCHEM-ZINC03871462 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.0410 1.6150 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 0.1530 -0.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1960 0.0600 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.7850 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -0.5400 0.3170 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -1.7430 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -2.5020 2.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -1.7540 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -0.2980 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -0.6740 1.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -0.2540 -0.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 0.3350 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 0.7030 -2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 -0.4260 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -0.8300 -0.9500 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2170 -0.4170 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -2.3660 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -3.0280 -1.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -2.9170 -0.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -4.3700 -0.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2310 -4.8390 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 -4.7510 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 -4.3340 1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 -3.3390 2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 -2.9540 3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5740 -3.5620 4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 -4.5560 3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -4.9420 2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -4.9830 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 -4.2100 -2.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 2.0220 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 2.2400 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 1.7270 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.6220 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -1.8280 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 -0.7860 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -2.5220 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -1.9900 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 1.2030 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -0.4320 -2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 1.6530 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 0.8010 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 -0.1080 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 -1.2560 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 -2.3170 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 -4.3080 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5690 -5.8370 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 -2.8590 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1090 -2.1840 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6150 -3.2630 5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 -5.0310 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 -5.7190 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -6.2050 -2.0760 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 53 -1 M END