PUBCHEM-ZINC02956643 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -4.9450 0.8870 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 -0.4010 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -0.3880 -2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -0.6750 -0.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3160 -0.5910 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 0.3330 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -0.1860 -1.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -2.0640 -0.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -2.1190 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -3.1920 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -3.2070 0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -4.4610 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -5.1150 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -6.3700 -2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -7.5690 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -8.7750 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -8.7790 -3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -7.5910 -3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -6.3860 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -10.4120 -4.1670 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -4.9010 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -4.3480 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -3.4160 1.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -4.9480 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -4.1600 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -4.6180 2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -5.8670 1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -6.6640 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -6.2210 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -6.9640 0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -8.3380 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 0.9500 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 0.9130 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 1.7820 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -1.2160 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 0.4430 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -1.3210 -3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -0.2820 -3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -4.7270 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -7.5700 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -9.6980 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -7.5930 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -5.4620 -3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -5.7390 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -3.1740 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -3.9950 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -6.2240 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -7.6280 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -8.4400 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -8.8580 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -8.8080 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 1.5180 -0.2750 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M CHG 1 52 -1 M END