PUBCHEM-ZINC05295239 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5530 -1.8510 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -2.4130 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -4.1430 -0.5770 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -4.5300 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 -3.7080 -0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 -4.3150 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -5.6060 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -5.7220 -0.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -6.9020 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -7.7880 -0.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9140 -8.0310 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -9.0780 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -9.9560 0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -11.1540 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -12.0550 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -13.2730 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -13.5950 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -12.6980 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -11.4820 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -15.2620 -0.8060 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -7.0930 0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5430 -6.4680 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -7.6020 -1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7970 -6.0260 -0.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5480 -6.6180 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 -4.7770 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1650 -4.4130 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0100 -3.9190 -0.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2960 -2.5660 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -2.9970 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.3850 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -2.8440 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -7.4630 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -6.5850 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -9.5640 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -8.8420 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -11.8040 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -13.9740 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -12.9510 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -10.7840 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -6.8440 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -1.8960 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2090 -2.5780 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4660 -2.2180 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 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 8 1 0 0 0 0 6 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 M END