PUBCHEM-ZINC04020659 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7090 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1050 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7060 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9930 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6670 -1.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6950 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -4.0880 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -4.7370 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -4.0100 -4.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.6300 -4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -1.9640 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.6070 -3.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.8520 2.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -4.3220 2.3800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9810 -4.7170 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -4.6060 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -3.2310 4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.3350 3.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.9580 5.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -1.6410 6.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -1.3930 7.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.4450 8.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -3.7530 8.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -4.0160 6.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -2.0950 10.5530 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -4.9030 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -6.0610 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -6.5940 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -5.9690 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -4.8110 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -4.2810 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1920 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -4.6590 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -5.8170 -3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -4.5250 -5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -2.0680 -5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.1970 -3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -5.1690 4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -5.1450 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.8190 5.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -0.3750 8.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -4.5690 8.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -5.0360 6.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -6.5490 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -7.4990 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -6.3850 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 -4.3230 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -3.3780 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 M END