IBS-ZINC02414095 MOE2007 3D Structure written by MMmdl. 48 51 0 0 0 0 0 0 0 0999 V2000 -0.3060 -0.2400 4.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -0.6740 3.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -1.1810 4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -1.5970 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -2.0840 3.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -1.4000 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -1.7420 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -1.5360 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -0.9950 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -0.6570 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -0.8600 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -0.4980 2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.0840 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 2.2860 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 3.7460 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 4.1010 -0.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 3.3040 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 1.8230 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.7680 -2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -1.3240 5.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -0.1990 6.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -0.3310 7.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 -1.5890 8.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -2.7170 7.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -2.5840 6.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -1.7690 10.0920 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.6950 4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 0.8480 4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -0.5250 5.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -2.1640 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -1.7990 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -0.1910 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -0.6270 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 2.1090 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 2.0030 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 3.9360 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 4.4030 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 3.4800 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 3.6410 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 1.2040 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 1.6440 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -1.1080 -2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 0.7870 5.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 0.5510 8.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -3.7010 8.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -3.4730 5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 1.3840 0.1940 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3470 1.4870 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 20 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 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 47 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END