PUBCHEM-ZINC03869695 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 37 0 0 1 0 0 0 0 0999 V2000 -0.0030 1.5160 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 0.0050 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -0.4120 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 0.3510 -0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -1.7300 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -2.3650 0.0600 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8140 -1.8680 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -2.3920 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -0.7510 2.1390 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 -1.2170 3.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -0.3750 4.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -3.8220 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -4.3660 -0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 -4.4650 -0.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -5.8770 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -6.3480 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5060 -5.4270 -0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 1.9540 -0.0770 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0150 1.3540 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 3.4520 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 3.9780 -0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 2.0490 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8100 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -0.3200 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.5190 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -2.3310 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -3.0270 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -2.8240 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -2.2860 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -4.0110 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 -6.0030 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -6.4650 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -7.5720 -1.4240 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0460 3.9000 1.3020 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1450 1.7770 -1.4130 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5910 2.7510 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 1.7100 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 1.0830 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 29 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 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 M CHG 1 33 -1 M CHG 1 34 -1 M CHG 1 35 1 M END