REMARK  Name = BDB059145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.029  -0.963  -0.343  0.00  0.00    +0.138 A 
ATOM      2  O   LIG    1        0.251  -1.940   0.561  0.00  0.00    -0.359 OA
ATOM      3  N   LIG    1        1.504  -2.466   0.298  0.00  0.00    -0.083 NA
ATOM      4  C   LIG    1        1.966  -1.792  -0.763  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        1.027  -0.834  -1.211  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.338  -0.283  -0.201  0.00  0.00    +0.077 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -2.455  -1.081  -0.876  0.00  0.00    +0.008 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.809  -0.363  -0.862  0.00  0.00    +0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.373  -0.169   0.545  0.00  0.00    +0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.834   0.296   0.577  0.00  0.00    -0.000 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.521   1.654  -1.470  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.078   1.687  -0.014  0.00  0.00    -0.003 C 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  13
ATOM     13  C   LIG    1        3.315  -2.096  -1.317  0.00  0.00    +0.059 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.315  -0.943  -1.184  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.603  -0.561   0.272  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.714   0.490   0.361  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.938   0.971   1.795  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.861   1.923   2.269  0.00  0.00    +0.305 C 
ATOM     19  O   LIG    1        4.051   2.487   1.551  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1        4.905   2.126   3.606  0.00  0.00    -0.481 OA
ATOM     21  H   LIG    1        5.604   1.619   4.060  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   4  13
TORSDOF 13