PUBCHEM-ZINC05858074 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 0.5600 1.0320 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.2520 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -0.7310 0.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -1.8620 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -2.4320 1.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -2.4080 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -1.6070 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 -2.1260 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 -3.4390 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -4.2340 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -3.7250 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -4.5780 0.1890 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8510 -5.7620 -0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -4.0950 0.4400 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.3510 -1.3500 0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5210 -0.4610 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -0.3540 -1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 0.5500 -2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8680 1.3470 -2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 1.2420 -1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 0.3360 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8620 0.2000 0.4450 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 2.3310 -3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7410 1.7120 -4.9970 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 3.4270 -3.4880 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8050 2.7670 -4.3980 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 1.3910 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 0.8290 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 1.7910 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -1.0120 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.0490 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -0.5860 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2530 -3.8420 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -5.2550 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 -0.9750 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 0.6340 -3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7050 1.8660 -1.8600 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END