PUBCHEM-ZINC03656649 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2080 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0160 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 1.3960 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 3.5650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 4.2940 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 5.6220 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 6.6190 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 7.9360 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 8.3370 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 7.3740 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 6.0250 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 4.5830 0.0080 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 9.7700 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 10.1140 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.1630 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1710 -2.7810 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -2.7620 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5190 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.9410 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 6.3290 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 8.6820 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 7.6760 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 10.6980 0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 11.6250 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END