PUBCHEM-ZINC06092115 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0320 1.3410 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.0400 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.6810 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 0.0650 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 1.4590 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 2.0930 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 3.8530 0.0330 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 4.1520 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 3.2170 2.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 5.4150 2.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -0.6190 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -1.4380 0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -2.1600 -0.0130 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2870 -2.8120 0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -2.7250 -0.1170 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9910 1.8370 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -0.6190 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 2.0420 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 6.1600 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 5.5790 3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -0.3330 -0.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -0.8060 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END