PUBCHEM-ZINC05326004 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2090 -1.7710 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -2.3050 -2.3640 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3020 -1.2700 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -2.8650 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -2.0100 -4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 -2.5240 -5.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -3.8920 -5.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -4.7470 -4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -4.2330 -3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 -4.4420 -7.0040 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1000 -3.6890 -7.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -5.6480 -7.1500 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3480 -3.0780 -1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -3.7520 -2.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -4.1040 -3.8040 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -5.5160 -3.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -3.2440 -3.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -3.6130 -5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -0.9410 -4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 -1.8560 -6.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -5.8160 -4.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -4.9010 -2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -4.0110 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -4.4660 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -4.1830 -5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -3.8120 -6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -2.5490 -5.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END