IFLAB-ZINC04033370 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.0140 1.5540 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.0250 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -0.4970 0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -0.7820 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -0.6920 -2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -1.0680 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -1.5360 -2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -1.6310 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -1.2550 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -1.2350 0.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -0.7970 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -0.6400 2.5430 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6260 -0.2410 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 0.2500 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -0.3810 4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 0.1580 5.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -1.6260 4.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -1.9810 3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -2.4760 5.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -3.7880 5.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -4.6250 6.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -4.1570 7.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -2.8500 8.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 -2.0080 7.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -5.3050 9.4550 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9430 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.9110 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.8990 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.3200 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.3320 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -0.3290 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -0.9990 -4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 -1.8270 -3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 -1.9950 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 1.2720 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 0.2320 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -2.6260 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -2.4760 3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -4.1540 4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -5.6450 6.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -2.4880 9.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -0.9860 7.1820 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 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 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 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 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END