BR4NY1 -OEChem-04022101222D 38 40 0 0 0 0 0 0 0999 V2000 3.9595 1.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 -1.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3077 4.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 0.7819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.0842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 2.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 3.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 2.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 3.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 4.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -0.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 2.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 1.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 3.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1054 2.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 3.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9188 4.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2374 5.1572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 21 1 0 0 0 0 4 37 1 0 0 0 0 5 22 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$