PUBCHEM-ZINC04544949 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 31 0 0 1 0 0 0 0 0999 V2000 0.2110 1.3120 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 0.0280 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.9990 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 2.3400 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 3.6520 0.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4970 4.0250 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 3.4110 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 3.8300 0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 4.6940 1.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 5.4000 1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 5.2430 1.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 6.4540 2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 1.0510 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 1.7470 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.3800 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 0.2480 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -0.6630 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -1.2560 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 2.5470 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 1.9030 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 4.8420 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 5.9870 3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 6.9890 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -2.2530 -0.4100 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2190 -2.9690 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -2.1160 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -2.6430 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 2.8710 -1.4040 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8840 7.4660 2.6340 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8550 8.0820 3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 6.9780 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 8.0430 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 M CHG 1 24 1 M CHG 1 28 -1 M CHG 1 29 1 M END