B5NHE1 -OEChem-04022101332D 79 79 0 0 0 0 0 0 0999 V2000 14.3322 9.2150 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 17.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 18.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 12.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 17.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 14.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 14.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 15.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 16.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 17.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 7.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 8.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 8.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 8.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 8.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 10.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 9.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 11.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 11.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 11.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 11.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 14.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 14.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 14.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 14.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 15.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 16.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 16.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 15.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 17.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 18.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3322 9.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 79 1 0 0 0 0 2 34 2 0 0 0 0 3 36 2 0 0 0 0 4 8 1 0 0 0 0 4 78 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 48 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 53 1 0 0 0 0 7 24 1 0 0 0 0 7 34 1 0 0 0 0 7 70 1 0 0 0 0 8 36 1 0 0 0 0 8 77 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 20 2 0 0 0 0 15 22 1 0 0 0 0 16 21 2 0 0 0 0 16 23 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 24 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 25 1 0 0 0 0 20 56 1 0 0 0 0 21 26 1 0 0 0 0 21 57 1 0 0 0 0 22 27 2 0 0 0 0 22 58 1 0 0 0 0 23 28 2 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 32 2 0 0 0 0 25 62 1 0 0 0 0 26 33 2 0 0 0 0 26 63 1 0 0 0 0 27 32 1 0 0 0 0 27 64 1 0 0 0 0 28 33 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 34 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 35 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 35 36 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 M END $$$$