PUBCHEM-ZINC03645516 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 29 0 0 1 0 0 0 0 0999 V2000 -0.5340 2.4650 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 0.9540 0.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7270 0.6900 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.4220 2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 1.0950 3.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -0.8730 2.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -1.6080 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -3.0480 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -3.3410 2.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 0.1130 -0.4170 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 0.1350 -2.2520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 1.5800 -3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 1.2180 -3.8550 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4390 0.4260 -4.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.5190 -4.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 2.8670 -3.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 2.7710 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 2.8550 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 2.9590 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -1.4300 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -1.6300 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -1.0630 4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 1.9210 -3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 2.4040 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -3.7360 4.3850 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4660 3.0020 -5.4670 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6430 0.7490 -2.8880 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2250 0.0000 -3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 0.5250 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 1.6160 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 M CHG 1 25 -1 M CHG 1 26 -1 M CHG 1 27 1 M END