BRJN90 -OEChem-04022109022D 52 54 0 1 0 0 0 0 0999 V2000 2.8660 1.0099 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 0.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5099 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6766 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5368 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5252 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4085 -0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3854 -2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2687 -1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2572 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0673 -0.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4578 -1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 2.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9847 -2.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4157 0.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3782 -3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8092 -0.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7905 -2.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 2 49 1 0 0 0 0 5 18 2 0 0 0 0 6 21 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 8 24 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 9 37 1 0 0 0 0 10 17 2 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 19 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 20 1 0 0 0 0 14 22 2 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 19 26 2 0 0 0 0 19 27 1 0 0 0 0 20 23 2 0 0 0 0 20 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$