IFLAB-ZINC04273338 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.7160 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -0.0340 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -0.7360 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -2.1340 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -2.8150 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -2.1080 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -2.8880 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 -2.2950 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -4.2360 0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -4.9450 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 -4.4330 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 -5.3830 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 -6.5390 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -6.2850 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1020 -7.8730 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4940 -7.9860 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0810 -9.2340 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2940 -10.3730 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9130 -10.2670 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3140 -9.0250 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1070 -12.0800 0.0460 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 1.0450 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -0.2070 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -3.8950 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.6330 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -4.7100 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1090 -7.0990 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1570 -9.3230 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 -11.1590 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 -8.9430 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 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 10 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END