REMARK  Name = BDB005582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.173  -0.373  -0.637  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -0.435  -1.348   0.045  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.951  -1.216   0.176  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        1.637  -0.112  -0.353  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.105  -0.027  -0.160  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        3.790   1.106  -0.596  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        3.220   1.947  -0.583  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        5.170   1.346  -0.187  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        5.943   0.034  -0.218  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        5.247  -1.028   0.641  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.753  -1.042   0.447  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        3.020  -2.220   0.983  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        3.599  -3.142   1.550  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.893   0.846  -1.056  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        1.663  -2.224   0.834  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        1.185  -3.032   1.206  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.494   0.718  -1.194  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -2.673  -0.507  -0.797  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.433   0.624  -0.233  0.00  0.00    -0.299 NA
BRANCH  19  21
ATOM     20  C   LIG    1       -5.656   1.790  -0.310  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -4.830   0.565  -0.690  0.00  0.00    +0.081 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -3.281   0.756   1.226  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -3.864  -0.367   2.080  0.00  0.00    +0.020 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4