PUBCHEM-ZINC06694500 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 1 0 0 0 0 0999 V2000 0.0140 1.3440 0.1920 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8030 1.9400 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.0400 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -0.4120 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -1.3530 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 0.7390 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 0.7810 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 1.8030 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 2.8390 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -0.8350 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -1.1020 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 -2.0410 -1.3610 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7960 -2.9610 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -2.3910 -2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -2.0410 -3.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -1.7790 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -0.2910 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -0.1520 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -1.5380 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -2.9090 -3.5540 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1880 -1.3760 -0.7870 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8240 -1.4940 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -0.3670 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 -1.8850 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 8 2 0 0 0 0 3 4 2 0 0 0 0 3 10 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 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 M CHG 1 1 1 M CHG 1 20 -1 M CHG 1 21 1 M END