PUBCHEM-ZINC05167488 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.1990 1.6250 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.1780 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -0.2480 0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -0.5900 -0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -0.1950 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -2.0180 0.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2560 -2.2540 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -2.7940 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -2.3710 -2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -2.4670 0.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5670 -3.5420 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -2.1960 2.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1370 -1.1790 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -2.3830 2.8320 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6100 -1.6710 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -2.2000 4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -2.8810 4.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -3.7180 2.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -3.1170 2.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -3.1300 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -1.7840 0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -2.2600 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 2.0740 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 1.7240 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 2.1510 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -3.8330 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -4.2990 3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 -1.4230 4.9070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 28 -1 M END