REMARK  Name = BDB002740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.291  -1.087  -2.428  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.627  -0.111  -2.091  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        0.262  -0.081  -1.886  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -0.138   0.801  -1.560  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.669  -1.139  -2.039  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.002  -0.944  -1.625  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.972  -1.942  -1.794  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.612  -3.166  -2.349  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.293  -3.385  -2.739  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.329  -2.379  -2.587  0.00  0.00    +0.024 A 
BRANCH   6  11
ATOM     11  C   LIG    1       -2.410   0.338  -1.015  0.00  0.00    +0.248 C 
ATOM     12  N   LIG    1       -2.785   0.338   0.315  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -2.625  -0.759   1.262  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -3.140  -0.198   2.579  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -2.796   1.281   2.474  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -3.052   1.589   1.005  0.00  0.00    +0.108 C 
ATOM     17  O   LIG    1       -2.332   1.353  -1.703  0.00  0.00    -0.270 OA
ENDBRANCH   6  11
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        2.302   1.225  -1.808  0.00  0.00    +0.133 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.243   1.164  -0.621  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        2.833   0.996   0.719  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1        3.768   0.911   1.765  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        5.130   0.998   1.485  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.556   1.165   0.171  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.626   1.245  -0.870  0.00  0.00    +0.006 A 
BRANCH  20  25
ATOM     25  N   LIG    1        1.420   0.911   1.093  0.00  0.00    +0.057 N 
ATOM     26  O   LIG    1        0.629   1.681   0.531  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        1.105   0.086   1.962  0.00  0.00    -0.126 OA
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 5