PUBCHEM-ZINC01208861 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0570 1.2760 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.1060 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -0.8010 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -0.0840 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 1.3030 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 1.9890 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 2.0400 -0.0760 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4030 1.4950 -0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 3.1520 0.4580 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0360 -2.2910 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -4.1770 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -4.5480 -3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -4.1370 -4.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -2.7280 -3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.3530 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -5.2990 -4.7240 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -4.6680 -5.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -6.5030 -4.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -5.6560 -3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -4.9370 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -5.2330 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -6.2510 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -6.9860 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -6.6960 -2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -6.6100 0.0600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.8000 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.6330 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -0.6070 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 3.0640 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -2.7480 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7390 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -4.7340 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -4.3600 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -4.0490 -3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -5.6230 -3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -2.0870 -4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -2.5280 -4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -1.2760 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -2.8940 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -4.1580 -3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -4.6760 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -7.7910 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -7.2880 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -2.6990 -1.5990 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9830 -2.1700 -1.9780 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 10 1 0 0 0 0 4 5 2 0 0 0 0 4 28 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 8 2 0 0 0 0 7 9 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 44 1 M END