PUBCHEM-ZINC02767381 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 0.1310 0.9950 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -0.0310 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -0.2570 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -1.2770 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -1.6410 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.8410 -0.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -2.7110 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -3.3790 -2.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.9470 -2.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -4.0310 -3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -3.8470 -5.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -4.9190 -6.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -6.1740 -5.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -6.3590 -4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -5.2880 -3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -5.4680 -2.0650 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -7.5840 -3.7880 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -7.2180 -6.4640 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -4.7410 -7.4190 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -2.6240 -5.7000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 -1.8840 -0.6710 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6330 -1.4640 0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -2.8040 -1.4420 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5940 0.5770 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 1.3340 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.8390 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 0.2760 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -2.3670 -2.8310 H 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 6 1 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END