IBS-ZINC01463977 MOE2007 3D Structure written by MMmdl. 41 43 0 0 0 0 0 0 0 0999 V2000 3.7080 6.1530 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 5.4770 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 6.2490 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 5.5880 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 6.2290 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 4.1140 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 3.3920 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 2.0270 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.3530 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0550 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 3.4440 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 4.1430 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -0.6700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -2.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -2.6450 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -3.0950 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.7280 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 8.3960 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 9.7720 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 10.4910 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 9.8330 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 8.4560 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 12.3770 0.0480 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 6.3110 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 5.5230 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 7.1140 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 3.9110 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 1.4670 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 1.5250 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -0.3900 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -0.3800 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -3.7140 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -1.9760 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -2.9130 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -4.1270 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -2.9220 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 7.8360 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 10.2910 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 10.3980 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 7.9440 1.9800 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 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 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 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 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 40 1 0 0 0 0 23 41 1 0 0 0 0 M END