PUBCHEM-ZINC05489463 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5700 -1.6950 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -0.8530 1.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4710 -1.3340 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 0.5100 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 0.7720 2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -1.6720 1.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -2.6740 2.8420 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 -3.5510 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 -3.0190 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4280 -3.7090 2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4300 -4.9280 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2480 -5.4600 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 -4.7790 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 -5.3520 1.4620 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8000 -6.4280 0.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -4.7480 1.6120 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6580 0.0270 -0.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -1.0960 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2440 -2.0670 3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3530 -3.2960 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3570 -5.4650 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 -6.4120 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 0.9180 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 1.4340 2.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 2.2930 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 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 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END