PUBCHEM-ZINC05963092 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -1.4940 1.8040 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 0.4580 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 0.5340 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.5650 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -1.8680 -0.6400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7470 -1.9060 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -2.1710 -1.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6710 -2.4400 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -2.1020 0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -3.0560 1.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -3.3600 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -4.1040 2.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -2.8620 0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -3.3200 0.3310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9440 -2.9300 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.8430 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -4.1500 2.2820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9410 -4.4690 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -5.1460 1.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5420 -5.0350 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -4.7560 0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -6.5840 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -7.4880 0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -3.9860 2.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -3.2850 3.6870 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3420 -2.5830 4.5470 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.4120 -0.9700 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -3.7520 -2.2320 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 2.5840 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 1.7500 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 2.0360 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 0.2260 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 0.8490 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -0.4470 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 1.2550 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -3.2840 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -2.2060 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -2.3130 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -6.7920 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -6.7110 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -8.4190 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -0.7720 -2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -1.1860 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -0.0940 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 25 26 2 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 25 1 M CHG 1 26 -1 M END