PUBCHEM-ZINC05112942 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 29 0 0 1 0 0 0 0 0999 V2000 0.4840 2.4240 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 1.1990 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 1.2100 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 2.1230 -2.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 2.4330 -0.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4580 2.3760 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 3.7960 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 3.7210 -1.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 1.0360 0.2640 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0050 1.8880 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 0.9200 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 1.8350 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 1.4280 -0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 3.1650 -0.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 3.8630 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 3.5010 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 -0.2590 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -0.8200 0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 2.4930 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 3.3260 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 0.2860 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 1.1100 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -0.1020 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 1.1950 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 0.2750 -1.3870 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9040 4.8080 0.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5300 1.1680 -0.4330 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0490 0.3180 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 1.0040 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -0.5620 1.7910 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 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 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 25 -1 M CHG 1 26 -1 M CHG 1 27 1 M CHG 1 30 -1 M END