L3UPC4 -OEChem-05032300022D 60 64 0 0 0 0 0 0 0999 V2000 16.0781 3.0944 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 16.7925 -0.2953 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -1.9744 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.4744 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.0676 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1891 -1.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1449 -2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8320 1.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 -1.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4138 1.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -2.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -1.4689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1891 -0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7728 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7728 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2728 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4783 0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1462 0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7890 1.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7675 2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1247 0.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4353 1.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -2.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 0.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3554 -0.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6651 -0.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9739 -0.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -3.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7358 -2.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5828 -2.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8097 -1.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -3.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -2.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9536 -0.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3749 2.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6064 2.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -2.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 37 1 0 0 0 0 3 7 2 0 0 0 0 3 8 2 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 10 2 0 0 0 0 4 11 2 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 9 25 2 0 0 0 0 12 38 1 0 0 0 0 12 58 1 0 0 0 0 13 26 1 0 0 0 0 13 47 1 0 0 0 0 14 39 1 0 0 0 0 14 57 1 0 0 0 0 15 39 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 27 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 28 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 34 2 0 0 0 0 28 35 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 31 33 2 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 37 1 0 0 0 0 34 55 1 0 0 0 0 35 36 2 0 0 0 0 35 56 1 0 0 0 0 36 38 1 0 0 0 0 37 38 2 0 0 0 0 40 41 2 0 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 M END $$$$