PUBCHEM-ZINC04904969 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.2730 1.8990 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 0.4010 0.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4620 -0.0480 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 0.1980 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -1.2840 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -1.8450 2.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -2.0400 1.7630 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2680 -1.7440 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -1.6940 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 0.1310 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -0.1730 -0.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9920 0.2990 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 0.3650 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -0.3920 -2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 0.1020 -3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 1.3520 -3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 2.1090 -2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 1.6130 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 3.4480 -2.3390 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3300 3.8830 -3.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4080 4.1140 -1.3410 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9080 -1.5870 -0.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -3.5450 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 2.3950 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 2.0470 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 2.3210 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 0.5660 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 0.7340 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -2.0850 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -2.1390 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.4440 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 1.1950 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 -1.3690 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -0.4890 -4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8690 1.7390 -4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 2.2020 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -2.0730 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -3.7830 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -4.0850 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -3.8390 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -0.2360 0.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 41 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END