PUBCHEM-ZINC02685372 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.3810 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -1.7040 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -2.0000 -3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -0.9730 -3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 0.3510 -3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 0.6460 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 1.4450 -4.3600 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2610 2.6060 -4.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 1.1850 -5.3950 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0370 -1.3500 -5.3450 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -1.4530 -6.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.7750 -7.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 -1.9190 -8.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -3.4100 -3.4130 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5710 -4.3100 -2.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -3.6700 -4.4480 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -2.5030 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.6750 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -2.2370 -6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -0.4990 -6.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -1.9010 -8.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -2.1080 -9.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 16 1 M CHG 1 18 -1 M END