PUBCHEM-ZINC04141586 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 51 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.4350 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0530 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6350 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 0.0760 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 1.4680 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.1520 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1120 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 1.5430 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 2.2910 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 1.6390 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 0.2570 -3.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 -0.4960 -2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 0.1510 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -0.5350 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 -0.0250 1.1910 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0260 -0.4660 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 1.5120 1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9940 1.8570 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 1.8880 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 3.0180 1.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 0.7730 1.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 -0.3620 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 -1.4800 1.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 0.7910 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8140 0.2910 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1920 0.3100 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8160 0.8270 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.3270 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 1.3050 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2930 0.8470 0.7960 N 0 3 0 0 0 0 0 0 0 0 0 0 12.9590 0.4080 1.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8440 1.3020 -0.1900 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7390 -2.4940 -0.2480 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9600 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.4940 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7140 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.2310 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 3.2010 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 3.3700 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 2.2140 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 -0.2390 -4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -1.5760 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3280 -0.1130 2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7840 -0.0790 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 1.7300 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 1.6910 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 38 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 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 24 1 0 0 0 0 22 23 2 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 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 M CHG 1 30 1 M CHG 1 32 -1 M END