PUBCHEM-ZINC06855234 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.6720 1.2530 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.2680 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.5990 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 0.9330 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 3.1080 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 3.6270 3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -2.4370 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -2.5260 -0.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2970 -2.3300 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -3.8590 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -3.8950 -1.1020 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -3.9890 -2.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -2.5950 -0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -1.4180 0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -1.6110 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.6330 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 1.7120 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -0.6790 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.5070 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -1.0600 3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -1.0250 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 1.1420 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 1.2950 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 3.5690 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 3.4550 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 3.2940 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 3.3350 4.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -2.8760 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -2.8900 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -3.9680 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -4.7110 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -0.9490 1.1080 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1540 -0.6090 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.6400 1.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 5.1150 3.0990 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1970 5.4660 3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 5.4900 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 5.5360 3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -5.0690 -0.7060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 34 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 32 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 34 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 39 1 0 0 0 0 14 15 1 0 0 0 0 32 33 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 32 1 M CHG 1 35 1 M CHG 1 39 -1 M END