PUBCHEM-ZINC04558601 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -2.0380 -0.4420 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -1.7850 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -2.1950 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -1.2630 -0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.0800 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 0.4900 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -1.7100 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -1.7260 -1.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -2.1060 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 -2.4160 -0.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -2.1420 -2.9130 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 -2.5560 -2.8260 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4970 -2.5360 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0440 -1.5960 -3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 0.0760 -2.9920 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 -2.1040 -3.5350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 -1.6280 -5.3660 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -3.9140 -3.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -4.9510 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 -4.6810 -0.8220 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -6.2010 -2.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 -7.2650 -2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 -7.3900 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4530 -8.4420 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -9.3700 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1330 -9.2470 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 -8.2010 -2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 -10.4950 0.5030 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0870 -10.6040 1.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 -11.3130 0.2170 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0480 -0.1210 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -2.5130 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -3.2440 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.8080 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 1.5390 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -1.0210 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -2.7120 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 -1.8950 -3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -4.0670 -4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5340 -6.3620 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 -6.6660 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -8.5400 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8920 -9.9730 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4150 -8.1090 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 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 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END