REMARK  Name = BDB055278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.118   0.140  -0.631  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -2.019   0.236   0.246  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.246   0.558   1.595  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.091   0.658   2.523  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1        0.151   0.426   1.981  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        0.930   0.479   2.627  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        0.383   0.111   0.666  0.00  0.00    +0.050 A 
ATOM      8  O   LIG    1       -1.237   0.932   3.709  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -3.539   0.782   2.075  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.620   0.686   1.205  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -0.634   0.013  -0.203  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.412   0.366  -0.140  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        1.777  -0.100   0.244  0.00  0.00    -0.002 A 
ATOM     14  C   LIG    1        2.176  -1.307  -0.343  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.505  -1.504  -0.732  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.455  -0.493  -0.548  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        5.887  -0.718  -0.934  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        4.062   0.708   0.053  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.734   0.904   0.442  0.00  0.00    +0.010 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -3.920  -0.262  -2.848  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.833  -0.179  -1.935  0.00  0.00    -0.494 OA
ENDBRANCH   1  21
TORSDOF 2