PUBCHEM-ZINC05648899 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.0530 1.4990 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 0.1440 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -0.6120 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -0.0180 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 1.3420 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.1140 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 3.5560 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2260 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 5.6750 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 6.4680 -0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 6.0530 -0.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 5.1290 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 5.4150 -0.3080 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 3.5520 -0.0960 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 7.4740 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 7.8870 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 9.3700 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 9.6090 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 9.1960 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 7.7120 -1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 -0.8360 -0.0510 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5010 -2.0310 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -0.3130 -0.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3350 -0.6180 1.7820 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 2.0840 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -1.6730 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 4.0830 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 8.0670 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 7.2940 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 7.7170 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 9.6640 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 9.9630 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 9.0160 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 10.6660 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 9.3660 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 9.7890 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 7.4180 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 7.1200 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 1.9260 -0.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 1.9400 -1.5140 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 14 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END