PUBCHEM-ZINC03869693 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 37 0 0 1 0 0 0 0 0999 V2000 0.0950 1.4910 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.0290 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -0.4340 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 0.3480 -0.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -1.7640 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -2.3660 0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7460 -1.8320 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -2.4140 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -0.7750 2.2050 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -1.2890 3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -0.4810 4.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -3.8160 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -4.4000 -0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -4.4070 -0.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -5.8080 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 -6.2220 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -5.2710 -1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 1.9400 -0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2180 1.4780 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 3.4810 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 3.8480 0.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 1.9010 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.9170 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.4490 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.4760 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.3870 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -2.9690 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.9480 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -2.3620 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -3.9180 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -5.9330 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -6.4290 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 -7.4360 -1.5730 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2350 4.0970 -1.1320 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0250 1.5400 1.2940 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7770 0.8480 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 1.3430 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 2.4890 1.5880 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