PUBCHEM-ZINC05134376 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5240 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.6720 -1.5360 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.0400 -1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 1.3760 -2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 2.3090 -1.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.0900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0670 1.3900 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 3.4010 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 4.4430 0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 1.6730 -3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 0.7810 -4.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.8790 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.8690 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.3540 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -0.3720 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -0.0480 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -0.6560 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 3.4120 2.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 2.9330 -3.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 3.0770 -4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 4.2770 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 M END