PUBCHEM-ZINC00622695 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.1880 1.2800 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.1480 -0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -0.7390 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -2.1230 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -2.6850 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -1.8820 -0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -0.5670 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 0.0000 -0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 0.2190 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 1.6320 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -4.0610 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 -4.7170 0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 -6.1280 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 -4.0360 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -4.2880 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -5.1230 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 -4.7900 -3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1600 -3.6150 -3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 -2.7790 -2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6520 -3.1200 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -3.2740 -5.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1200 -3.2420 -5.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 -3.4970 -4.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4640 -2.8390 -6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0850 -2.6400 -7.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 -2.9470 -6.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 -2.9060 -6.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 1.6220 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 1.6440 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 1.6650 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -2.7490 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 1.9050 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 2.1430 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 1.9260 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -4.6410 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -6.0370 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -5.4420 -4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 -1.8640 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7400 -2.4720 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0200 -3.6310 -7.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0300 -1.9080 -6.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 -3.3340 -8.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 -1.6100 -7.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 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 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 M END