PUBCHEM-ZINC05455296 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -1.7770 4.7820 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 3.3820 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 2.7410 0.9940 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1530 3.2590 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 1.4260 1.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 0.8060 0.6340 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5470 0.3170 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 2.2680 0.4460 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -0.1170 1.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9650 -1.1840 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 0.5080 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 0.3800 3.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 0.2170 2.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -0.6210 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -1.7450 3.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 0.0130 4.7000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4860 1.1000 4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 -0.2480 4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5750 -1.5360 4.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 -1.7690 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5140 -0.7190 2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9710 0.5640 2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7290 0.8000 3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -0.5000 6.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -0.0400 6.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 1.3200 7.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 2.7930 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 1.7700 -0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 3.4230 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 5.4590 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 5.2170 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 4.7710 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 1.1060 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 -2.3670 4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2320 -2.7720 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4790 -0.9030 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5120 1.3820 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 1.8080 3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -0.1180 6.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -0.6110 7.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -0.1700 6.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 1.6540 7.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 4.0950 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 2.4350 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 3.8000 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 3.8920 0.4220 O 0 5 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 1 0 0 0 0 2 8 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M CHG 1 46 -1 M END