PUBCHEM-ZINC05985533 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1400 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.4830 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8620 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.6260 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0020 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -4.0200 2.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -4.8030 3.6420 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -6.1930 3.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -4.1460 4.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -4.5020 4.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -5.3650 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -5.1310 3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -4.0280 4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -3.1640 5.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -3.4060 4.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -1.9870 5.9120 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8240 -1.2280 6.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -1.7770 6.1800 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6020 -3.7960 4.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -4.7270 4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2180 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1090 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -2.3470 3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -2.5930 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -4.5300 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -6.2230 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -5.8050 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -2.7360 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5060 -4.7460 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -5.7210 4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5600 -4.4260 4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END