PUBCHEM-ZINC04096455 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 -0.0310 1.3310 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.1590 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -0.4740 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 0.3900 -0.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -1.8230 -0.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -2.4070 -0.8110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1050 -1.8570 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -2.4530 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -0.9290 -2.9830 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -0.0670 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -3.8460 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -4.4580 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 -4.3770 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -5.7300 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -5.7570 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -7.1510 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 -8.0650 1.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 1.6560 0.3640 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1280 1.0200 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 3.1390 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 3.5790 1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 1.6480 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 1.9170 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -0.7380 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -0.5010 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -2.4900 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -2.6230 -2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -3.2720 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -3.8260 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -6.0660 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -6.3800 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 -5.3980 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -5.0820 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -7.2170 3.9040 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6210 3.6550 -0.9760 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5590 1.4040 1.8510 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0400 2.3290 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 0.6380 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 1.3990 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 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 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END