PUBCHEM-ZINC01175830 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 1.0020 -0.1330 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 0.5160 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 1.6920 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 2.2160 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 1.5710 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 0.3900 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 2.1110 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6450 3.0070 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 3.1550 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 1.8410 -3.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 0.9280 -3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 0.7950 -2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6460 1.2360 -4.3280 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 0.0860 -5.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4760 2.3460 -4.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 0.6350 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -0.6880 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 -1.1700 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4320 -0.3270 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6940 0.9900 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 1.4700 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0090 -0.8310 0.8060 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5740 -1.9040 1.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8860 -0.1470 1.3520 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5430 3.6670 -1.4600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -1.0470 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 0.1070 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 2.1920 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -0.1380 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 3.1310 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 1.5130 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 2.5090 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 3.9890 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 3.7460 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 3.7170 -3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 1.3320 -4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -0.0640 -4.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 0.2430 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 0.2900 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -1.3520 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4330 -2.2000 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3300 1.6480 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 2.4860 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 2.1670 -1.5620 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6470 2.6470 -2.0950 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 44 1 M END