PUBCHEM-ZINC04532534 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.5340 0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9320 -0.2200 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -2.0640 -0.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4260 -2.4460 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -2.4930 -1.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1600 -2.1390 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -1.8880 -1.2690 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3060 -2.1550 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -2.3940 -0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -3.9190 -1.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -2.5960 1.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -3.7070 1.3060 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6540 -4.8170 1.4760 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.1420 -0.0170 -1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 2.0330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 2.6880 -0.8430 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0570 3.3440 -1.6860 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -2.0520 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -4.2610 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 0.9480 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 16 17 2 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 20 21 2 0 0 0 0 M CHG 1 16 1 M CHG 1 17 -1 M CHG 1 20 1 M CHG 1 21 -1 M END