PUBCHEM-ZINC02559031 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.1000 1.3470 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.0490 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -0.7760 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -0.0720 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 1.3130 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 2.0490 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 3.5460 -0.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0770 3.9330 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 4.4080 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 5.3340 -0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -0.7600 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -2.2720 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.7600 -0.1740 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7410 1.8820 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -0.5680 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 1.8150 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -1.7350 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 4.1300 -2.4520 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3310 3.8610 1.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 3.3150 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 4.8200 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -2.9120 -1.3530 O 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 16 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 7 19 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 18 -1 M END