PUBCHEM-ZINC04534232 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0340 1.4520 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 0.0050 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.4700 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -0.7000 -0.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -2.1430 -1.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4360 -2.5640 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -2.7930 -1.1310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9940 -2.6310 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -4.2920 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -4.5730 -2.7130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6140 -3.9410 -2.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -2.5140 -2.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0440 -2.0740 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -2.0040 -2.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5160 -2.1720 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -2.7390 -3.5940 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3840 -2.6930 -4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -2.1580 -3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 -3.0120 -4.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -3.9120 -4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -4.1310 -3.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -4.4760 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -0.6040 -2.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -0.1670 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -6.1460 -2.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -6.8030 -2.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -4.0960 -3.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -4.3280 -5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -4.8600 -5.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -4.9340 -6.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -5.3040 -7.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -4.4360 -7.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -4.0340 -6.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -3.4800 -6.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -3.3570 -7.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -3.7780 -8.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -4.3230 -8.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2730 -2.6230 -8.2690 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -2.9840 -5.1540 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -2.1330 -2.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -2.6770 -2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 2.0260 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 1.5730 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 1.8310 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -0.2380 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -4.7750 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -4.6890 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -1.1490 -4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -2.1410 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -5.2160 -4.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -3.6890 -9.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -4.6500 -9.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -6.5840 -2.7250 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 51 1 0 0 0 0 37 52 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 53 -1 M END