PUBCHEM-ZINC02065350 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 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 0.6940 -0.6070 -1.2120 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -0.3770 -2.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -2.1040 -0.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -2.8710 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -3.2520 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -4.0310 -2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -4.4320 -3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -4.0530 -4.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -3.2790 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -2.8790 -3.1250 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7220 -3.2370 -4.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -2.1920 -2.2540 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8730 -5.2660 -4.9840 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0420 -5.6000 -4.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -5.6190 -5.9390 O 0 5 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 3.0540 -2.9390 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -4.3280 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -4.3670 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 15 1 M CHG 1 17 -1 M END