PUBCHEM-ZINC00439098 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 0.0810 0.9770 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -0.3410 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -0.7740 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.1360 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 1.4540 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 1.8730 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 2.3420 -0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -2.1760 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -2.8560 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -4.2610 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -5.3760 0.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -2.1420 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -2.4060 -0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -1.7380 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -0.8080 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -0.5420 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -1.2080 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 -0.0940 0.1530 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7640 -0.3270 -0.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 0.7250 1.0230 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7170 1.3090 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -1.0380 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -0.1910 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.9040 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 2.4010 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -2.6680 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -3.1320 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -1.9420 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 0.1860 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -1.0030 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 3 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END