PUBCHEM-ZINC04997653 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.5660 3.3160 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.8980 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 1.8560 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 0.9900 -0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 0.5350 -1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 0.8980 -2.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 0.4400 -3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -0.3950 -3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -0.7580 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -0.2980 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -0.7940 0.3440 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -0.8850 -4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -1.3900 -6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 -1.6640 -7.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -1.8820 -8.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -1.6530 -5.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -2.0100 -6.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.1320 -7.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.1620 -6.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -2.5060 -7.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -2.5720 -6.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -2.2980 -4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -1.9580 -4.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -1.8830 -5.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -1.5750 -4.8250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 4.0080 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 3.3450 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 3.6040 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 1.6090 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 2.1450 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.8460 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 2.5490 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 1.5410 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 0.7240 -4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -1.4010 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -0.8480 -4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -2.7210 -8.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -2.8400 -6.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -2.3550 -4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -1.7470 -3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 3 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 M END