IBS-ZINC04677779 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6590 1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0350 2.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.6450 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.8610 3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.0860 4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.4770 6.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 0.5680 6.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 1.6920 6.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 2.5920 6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 1.3990 4.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 0.4180 8.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -1.0230 8.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -1.9990 7.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -1.9240 6.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7340 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1310 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8080 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.1060 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.7220 -3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0330 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -3.0430 -5.3280 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.0050 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.6260 8.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 1.1120 8.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -1.2030 9.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -1.1740 8.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -1.7340 8.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -3.0130 8.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -2.3580 6.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -2.4660 5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.6800 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.8880 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.1800 -4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 1.0470 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END