PUBCHEM-ZINC06656705 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.5630 0.3630 1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -1.1010 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -1.4820 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -2.9460 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -3.2180 0.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -4.4790 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -5.5280 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -6.7780 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -6.9910 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -5.9450 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -4.6900 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 -6.1530 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3860 -5.2940 -1.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -7.3210 -0.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5750 -7.9600 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7880 -7.4170 -1.9310 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.5770 -9.0830 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 -10.1420 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7310 -10.3140 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5200 -11.4080 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0400 -12.3340 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7740 -12.1810 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9680 -11.0890 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 -10.9320 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 -9.9130 1.3520 O 0 5 0 0 0 0 0 0 0 0 0 0 -11.0200 -13.6760 1.3980 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 0.6100 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 1.0140 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 0.5860 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.2950 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.7230 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.2990 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -0.8440 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -3.1130 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -3.5890 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -5.4100 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -7.5880 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -7.9680 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 -3.8790 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 -7.8120 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 -9.2160 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1490 -9.6230 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5080 -11.5260 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 -12.9060 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -11.7990 2.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 2 0 0 0 0 M CHG 1 25 -1 M END