REMARK  Name = BDB060682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.626  -0.393  -0.566  0.00  0.00    +0.093 A 
ATOM      2  N   LIG    1        2.274  -0.380  -0.651  0.00  0.00    -0.241 NA
ATOM      3  C   LIG    1        1.749  -0.965  -1.758  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        2.540  -1.540  -2.742  0.00  0.00    +0.154 A 
ATOM      5  O   LIG    1        1.769  -2.056  -3.733  0.00  0.00    -0.461 OA
ATOM      6  C   LIG    1        0.477  -1.812  -3.382  0.00  0.00    +0.206 A 
ATOM      7  C   LIG    1        3.924  -1.562  -2.673  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        0.396  -1.132  -2.178  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.465  -0.961  -1.534  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.539   1.697   2.876  0.00  0.00    +0.174 C 
ATOM     11  N   LIG    1        5.452   1.137   2.119  0.00  0.00    -0.254 N 
ATOM     12  N   LIG    1        4.219   1.105   2.643  0.00  0.00    -0.065 NA
ATOM     13  N   LIG    1        3.419   0.556   1.737  0.00  0.00    -0.128 NA
ATOM     14  C   LIG    1        4.172   0.231   0.633  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1        5.482   0.601   0.867  0.00  0.00    +0.139 A 
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -0.857  -0.737  -1.543  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -2.028  -0.548  -2.286  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -3.228  -0.170  -1.665  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.301   0.036  -0.279  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -2.117  -0.151   0.456  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -0.918  -0.530  -0.163  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.598   0.453   0.435  0.00  0.00    -0.013 C 
ATOM     23  C   LIG    1       -4.388   1.811   1.140  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -4.977  -0.611   1.488  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -5.809   0.611  -0.511  0.00  0.00    +0.015 C 
ENDBRANCH  19  22
ENDBRANCH   8  16
TORSDOF 3