BR4EJ5 -OEChem-04022100342D 60 65 0 1 0 0 0 0 0999 V2000 6.3423 2.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 -0.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 2.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0470 -0.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3423 -1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 -0.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 1.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3893 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6103 -1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8475 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8371 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5418 1.6911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5418 -0.1911 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1429 -0.1911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5522 1.6911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0470 0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1429 1.6911 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3423 -0.7728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2464 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6377 0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6512 1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 -0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7516 2.2728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4382 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0450 -0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7849 -1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9420 0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7516 3.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4763 -2.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4763 -3.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3519 -0.7813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2399 -0.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4945 -0.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3345 2.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7899 -1.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 -0.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1901 -0.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 2.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 2.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 -1.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8534 -1.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6346 -1.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -0.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1952 -1.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5933 -2.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3746 -1.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2705 -0.4960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4678 0.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6134 0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3716 3.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7516 3.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1316 3.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1007 -1.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8563 -3.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4763 -3.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0963 -3.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 1 20 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 20 1 0 0 0 0 3 27 1 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 18 5 1 1 0 0 0 5 43 1 0 0 0 0 19 6 1 1 0 0 0 6 44 1 0 0 0 0 21 7 1 6 0 0 0 7 33 1 0 0 0 0 23 8 1 6 0 0 0 8 57 1 0 0 0 0 9 24 2 0 0 0 0 10 27 2 0 0 0 0 11 28 2 0 0 0 0 12 33 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 1 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 17 36 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 19 22 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 1 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 1 0 0 0 26 42 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END $$$$