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01e.pdb
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01e.pdb
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COMPND 01e.log
HETATM 1 C1 UNL 1 1.339 1.518 -0.729 1.00 0.00 C
HETATM 2 C2 UNL 1 -0.016 0.974 -0.523 1.00 0.00 C
HETATM 3 O1 UNL 1 0.024 -0.414 -0.790 1.00 0.00 O
HETATM 4 C3 UNL 1 1.348 -0.738 -1.146 1.00 0.00 C
HETATM 5 C4 UNL 1 2.166 0.507 -1.103 1.00 0.00 C
HETATM 6 O2 UNL 1 1.557 -1.912 -1.410 1.00 0.00 O
HETATM 7 C5 UNL 1 3.598 0.532 -1.444 1.00 0.00 C
HETATM 8 C6 UNL 1 4.469 0.096 -0.312 1.00 0.00 C
HETATM 9 C7 UNL 1 4.466 -1.241 0.103 1.00 0.00 C
HETATM 10 C8 UNL 1 5.296 -1.657 1.141 1.00 0.00 C
HETATM 11 C9 UNL 1 6.138 -0.738 1.775 1.00 0.00 C
HETATM 12 C10 UNL 1 6.145 0.597 1.364 1.00 0.00 C
HETATM 13 C11 UNL 1 5.313 1.011 0.325 1.00 0.00 C
HETATM 14 C12 UNL 1 -1.126 1.632 -0.149 1.00 0.00 C
HETATM 15 C13 UNL 1 -2.461 1.115 0.058 1.00 0.00 C
HETATM 16 C14 UNL 1 -2.793 -0.238 -0.101 1.00 0.00 C
HETATM 17 C15 UNL 1 -4.101 -0.673 0.114 1.00 0.00 C
HETATM 18 C16 UNL 1 -5.091 0.231 0.490 1.00 0.00 C
HETATM 19 C17 UNL 1 -4.772 1.581 0.652 1.00 0.00 C
HETATM 20 C18 UNL 1 -3.470 2.021 0.439 1.00 0.00 C
HETATM 21 BR1 UNL 1 7.256 -1.296 3.170 1.00 0.00 BR
HETATM 22 H1 UNL 1 1.574 2.573 -0.589 1.00 0.00 H
HETATM 23 H2 UNL 1 3.884 1.571 -1.767 1.00 0.00 H
HETATM 24 H3 UNL 1 3.774 -0.155 -2.320 1.00 0.00 H
HETATM 25 H4 UNL 1 3.798 -1.964 -0.395 1.00 0.00 H
HETATM 26 H5 UNL 1 5.281 -2.713 1.456 1.00 0.00 H
HETATM 27 H6 UNL 1 6.805 1.330 1.855 1.00 0.00 H
HETATM 28 H7 UNL 1 5.327 2.064 0.007 1.00 0.00 H
HETATM 29 H8 UNL 1 -1.011 2.720 0.027 1.00 0.00 H
HETATM 30 H9 UNL 1 -2.023 -0.969 -0.397 1.00 0.00 H
HETATM 31 H10 UNL 1 -4.347 -1.738 -0.014 1.00 0.00 H
HETATM 32 H11 UNL 1 -6.122 -0.115 0.659 1.00 0.00 H
HETATM 33 H12 UNL 1 -5.551 2.298 0.949 1.00 0.00 H
HETATM 34 H13 UNL 1 -3.226 3.086 0.569 1.00 0.00 H
CONECT 1 2 5 5 22
CONECT 2 3 14 14
CONECT 3 4
CONECT 4 5 6 6
CONECT 5 7
CONECT 7 8 23 24
CONECT 8 9 9 13
CONECT 9 10 25
CONECT 10 11 11 26
CONECT 11 12 21
CONECT 12 13 13 27
CONECT 13 28
CONECT 14 15 29
CONECT 15 16 16 20
CONECT 16 17 30
CONECT 17 18 18 31
CONECT 18 19 32
CONECT 19 20 20 33
CONECT 20 34
END