REMARK  Name = BDB054482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.198   1.525  -0.071  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.824   1.308  -0.237  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.317   0.002  -0.112  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.148  -1.075   0.178  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.329  -2.242   0.248  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.001  -1.867   0.000  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -1.038  -2.822   0.016  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.493  -2.574  -0.232  0.00  0.00    +0.068 C 
ATOM      9  N   LIG    1       -0.707  -4.122   0.269  0.00  0.00    -0.258 NA
ATOM     10  C   LIG    1        0.570  -4.472   0.503  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        1.627  -3.588   0.508  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.530  -0.842   0.341  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1        0.028  -0.496  -0.224  0.00  0.00    -0.338 N 
ATOM     14  C   LIG    1        4.042   0.457   0.214  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        4.964   3.120  -0.062  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        3.579   2.833  -0.215  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
BRANCH  13  17
ATOM     17  C   LIG    1       -1.114   0.353  -0.543  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.734   0.978   0.708  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.890   1.931   0.397  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.116   1.222  -0.179  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -5.211   2.160  -0.389  0.00  0.00    -0.330 NA
ATOM     22  H   LIG    1       -5.467   2.597   0.496  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1       -4.909   2.920  -0.998  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 6