PUBCHEM-ZINC06691634 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 1 0 0 0 0 0999 V2000 0.1540 1.4510 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.0450 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.5140 1.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -1.8570 1.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.4710 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -1.9430 3.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -2.8680 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -2.5600 5.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -4.3180 4.2010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0210 -4.8440 4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -4.2140 2.4200 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -4.9420 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -6.4360 4.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -7.0630 4.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.8300 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -1.3550 -1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -2.0610 -2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -2.2300 -3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -1.7040 -3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -1.0110 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -0.5490 -1.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 1.7780 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 1.7470 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 1.9470 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -2.4920 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -4.8300 5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -4.4260 3.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -1.2140 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -2.4770 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -2.7730 -4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.8380 -3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -0.2970 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -6.8620 3.7050 O 0 5 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 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 21 32 1 0 0 0 0 M CHG 1 33 -1 M END