NCID-ZINC05760556 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 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 1.1810 -0.6610 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -0.0450 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -2.0600 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -2.7190 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -2.0110 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -0.6980 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -0.0230 0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -0.8130 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -4.0990 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -4.7920 -0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1460 -4.1410 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -6.0710 -0.8470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9700 -5.8200 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -7.0060 -0.2120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7340 -6.5310 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -7.2890 1.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1060 -7.9100 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -5.9640 1.9930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1900 -5.4640 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -5.1290 1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -6.2340 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -5.0110 4.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -7.9720 1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -8.2320 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -6.7190 -0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -3.0330 -0.0420 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 -3.5900 -1.4370 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -1.4460 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -0.1490 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -4.6100 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -6.6530 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -6.9420 3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -5.1070 5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -8.8200 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -8.1250 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -6.1800 -1.2710 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 8 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END