PUBCHEM-ZINC03078070 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.4950 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.0120 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.7130 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.1000 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.7840 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.0840 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.6960 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0140 -2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -0.5690 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -1.6720 -3.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 0.1340 -4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -0.4670 -5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.1940 -7.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 1.4490 -7.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 2.0500 -6.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 1.4030 -4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 3.3930 -6.2050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8620 3.9680 -7.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 3.9230 -5.2050 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4440 -0.4410 -8.4030 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9520 -1.5460 -8.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 0.1410 -9.4710 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0970 -4.2900 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -4.8190 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -4.7700 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.7890 2.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.8780 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8560 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.8410 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.1810 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.6170 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 0.9250 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -1.4470 -5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 1.9620 -8.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 1.8750 -4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -4.6620 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -5.9090 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -4.4770 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -4.4480 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -4.3930 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -5.8600 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -4.3990 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -3.0050 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END