PUBCHEM-ZINC06092581 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3580 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 1.2050 -0.7050 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -0.0460 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 1.3540 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 2.0700 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 3.4760 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 4.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.4980 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 2.1010 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 1.4520 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 2.1250 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1680 1.4720 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3630 2.1980 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5700 1.5320 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6020 0.1490 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4230 -0.5770 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 0.0750 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 -0.5580 -0.0980 N 0 3 0 0 0 0 0 0 0 0 0 0 11.9410 0.0780 -0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9330 -1.7760 -0.1040 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7710 4.2160 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -2.4670 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -2.8850 0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -2.8560 0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.8880 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -0.6000 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 4.0220 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 5.2360 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3400 3.2780 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4940 2.0920 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 -1.6560 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 -0.4930 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 4.4210 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -2.9090 -1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -3.8690 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END