PUBCHEM-ZINC05421322 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.0210 1.4990 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.0290 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.5650 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -0.5480 -0.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -1.7600 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -2.0940 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 -3.3060 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -4.2160 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -3.8960 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -2.6790 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -5.4990 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -5.5500 -3.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -6.5620 -2.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -7.9080 -2.8890 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8370 -8.1140 -3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -8.0510 -4.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -7.1600 -5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -7.3050 -6.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -7.9250 -6.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -8.9530 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -8.4580 -0.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 1.9270 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 1.8930 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.8550 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -0.3030 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -1.6580 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -0.1640 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -0.2930 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 0.0300 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -1.4040 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -3.5360 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.5710 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.4710 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -6.5020 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -7.8190 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -9.0960 -4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -7.3690 -5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -6.1040 -4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -6.7690 -7.5140 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7740 -10.1380 -2.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 M CHG 1 39 -1 M CHG 1 40 -1 M END