PUBCHEM-ZINC04545891 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 32 0 0 1 0 0 0 0 0999 V2000 0.2890 1.2760 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.1790 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -0.6520 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -0.0400 1.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -1.8250 -0.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -2.5020 -0.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6500 -1.7980 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -3.7310 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -3.3510 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -4.5470 3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -5.5250 2.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -2.9780 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -3.5990 -2.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 1.8510 -0.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4580 1.2270 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 3.2950 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 4.0590 -0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.8890 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 1.3380 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -0.3060 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -0.8250 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -2.2910 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -4.3320 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -4.3770 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -2.7470 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.7380 2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 -4.3990 4.2330 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5350 -2.6570 -1.9650 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8560 3.5000 1.6560 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5370 1.9510 -1.5990 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7370 2.9990 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 1.7930 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 1.4550 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 -1 M CHG 1 29 -1 M CHG 1 30 1 M END