PUBCHEM-ZINC02990600 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 0 0 0 0 0 0999 V2000 0.4280 2.3260 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 0.8150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 0.1520 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.5300 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 0.1450 -1.5230 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 0.5730 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 0.0690 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 0.4150 -2.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -0.3520 -3.2640 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3120 0.2570 -2.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -1.7460 -3.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 0.0450 -4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 -0.9560 -5.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -0.6450 -7.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 0.6680 -7.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 1.6680 -6.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 1.3570 -5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1740 2.4290 -4.4170 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3680 3.5640 -4.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 2.1770 -3.2290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4980 2.5280 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 2.7970 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 2.7280 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 0.5550 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -0.9240 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 0.3550 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 1.0020 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -0.5460 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 0.9330 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 1.6560 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 0.1080 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -1.0140 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 0.5340 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 1.0930 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -1.9810 -5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -1.4270 -7.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 0.9110 -8.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 2.6930 -7.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END