PUBCHEM-ZINC05644292 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.3220 1.3570 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.0890 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -2.0530 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -2.4910 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -1.8050 -0.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -0.3520 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 0.0830 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -2.5140 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 -3.2730 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -4.0000 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3710 -4.0100 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 -3.2500 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -2.5240 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -1.7180 2.4170 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.6020 -4.6940 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1480 -5.7310 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2790 -6.8770 -1.5710 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.5530 -5.6910 -0.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5430 -6.5590 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3130 -7.6130 -1.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9140 -6.1260 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0730 -6.7940 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2520 -6.1060 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9590 -4.9310 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2750 -4.6660 0.0030 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 1.6220 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 1.5220 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 2.0460 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.7320 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -0.2510 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -2.3830 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -2.4460 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -2.2560 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -3.5800 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 0.0980 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 0.0500 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 1.1700 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -0.2490 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -3.2770 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9140 -4.5100 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5270 -3.2390 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1560 -4.3980 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9270 -4.8870 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0700 -7.7390 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2610 -6.4560 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6550 -4.2150 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.5280 0.1900 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1240 -0.2200 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END