PUBCHEM-ZINC03094338 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -0.6190 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1380 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4860 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8720 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -2.6330 2.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0090 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.7520 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -4.1730 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -2.5010 4.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.9820 5.7840 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -2.8330 6.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -0.5690 5.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.2990 6.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -3.5080 6.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -3.7560 6.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -2.7960 6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -1.5870 6.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -1.3370 5.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -3.0630 7.0330 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8340 -4.1280 7.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 -2.2170 6.7950 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2160 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.1060 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -3.7110 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -4.6440 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -4.4700 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -4.4880 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -3.2410 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -4.2580 6.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -4.7010 7.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -0.8370 5.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -0.3910 5.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 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 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END