REMARK  Name = BDB045480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.458  -0.894   0.453  0.00  0.00    -0.210 N 
ATOM      2  C   LIG    1       -3.067   0.242  -0.077  0.00  0.00    +0.319 C 
ATOM      3  O   LIG    1       -4.302   0.339  -0.083  0.00  0.00    -0.251 OA
ATOM      4  N   LIG    1       -2.282   1.268  -0.600  0.00  0.00    -0.210 N 
ATOM      5  C   LIG    1       -0.892   1.223  -0.625  0.00  0.00    +0.260 C 
ATOM      6  O   LIG    1       -0.226   2.146  -1.094  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.268   0.021  -0.063  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        1.030  -0.081  -0.057  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -1.078  -1.068   0.491  0.00  0.00    +0.260 C 
ATOM     10  O   LIG    1       -0.569  -2.083   0.966  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.454  -0.193  -0.050  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        3.239   0.827  -0.571  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.635   0.705  -0.558  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        5.305  -0.418  -0.037  0.00  0.00    +0.179 A 
ATOM     15  O   LIG    1        6.574  -0.518  -0.030  0.00  0.00    -0.288 OA
ATOM     16  C   LIG    1        4.462  -1.421   0.478  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        3.064  -1.324   0.477  0.00  0.00    +0.012 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  C   LIG    1       -3.255  -1.896   0.965  0.00  0.00    +0.103 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -4.662  -3.981   0.545  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -4.071  -2.925   1.491  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -4.582  -2.823   2.936  0.00  0.00    +0.002 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   4  22
ATOM     22  C   LIG    1       -2.908   2.382  -1.119  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.548   3.525  -1.651  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -4.054   3.504  -3.101  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.974   4.662  -0.710  0.00  0.00    +0.002 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5