PUBCHEM-ZINC03872694 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 1 0 0 0 0 0999 V2000 -0.0120 1.5820 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 0.0530 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5740 -0.2730 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -0.4860 -0.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9440 -0.1470 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -2.0270 -0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9070 -2.4120 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -2.5270 1.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5530 -3.6040 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.8290 1.2900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6090 -0.4030 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -2.1790 2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -1.7500 3.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -3.0250 2.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -3.1320 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -2.4850 0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 -4.1110 0.1600 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -2.1760 2.2270 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7610 -2.5550 -0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -2.5740 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 0.0200 0.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -0.6320 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 2.0220 0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 1.4510 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 2.0270 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.9640 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -3.4490 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.5500 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 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 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 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 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 28 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 18 -1 M END