PUBCHEM-ZINC05167462 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 0.2810 0.8740 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.6010 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -1.4410 1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -0.8790 0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.1370 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -2.2260 -0.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5930 -2.9280 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -2.6930 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -3.0470 2.4030 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -3.3360 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 -4.5390 2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 -4.8160 3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 -3.9000 4.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -2.7030 4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -2.4390 3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -1.1810 4.2730 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3780 -1.0970 5.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -0.2700 3.4350 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0680 -2.2360 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -1.0960 -2.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 1.0460 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 1.2510 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 1.4170 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -1.9250 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -3.6100 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -5.2750 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 -5.7530 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3490 -4.1220 4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 -1.9900 5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -3.3650 -2.1710 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 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 19 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 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 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 30 -1 M END