PUBCHEM-ZINC05592645 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.0470 1.7890 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.2630 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.4690 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -0.0340 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.0570 2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -2.0120 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -2.8300 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -4.2250 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.8510 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -4.0650 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.6660 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -6.2170 1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -6.9090 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -8.3710 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -9.1050 0.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -10.4270 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -10.6560 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -9.2140 -0.1750 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -11.9420 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -12.9450 0.9260 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3340 -11.3930 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 2.2000 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 2.1710 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 2.1820 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -0.0580 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -0.0400 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 1.0440 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.5140 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -0.2910 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -0.3310 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -0.5380 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 1.0210 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -2.3930 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -4.8260 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -4.5020 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.1110 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -6.6400 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -6.6730 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -12.1930 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -11.8300 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -10.8940 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -11.9890 -0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 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 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 2 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M CHG 1 20 -1 M END