REMARK  Name = BDB005548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.742   0.522  -0.108  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.365   0.726   0.059  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.437  -0.319  -0.072  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.956  -1.608  -0.261  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1        0.107  -2.713  -0.195  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        0.474  -3.651  -0.276  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -1.211  -2.623   0.142  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -1.783  -1.255   0.267  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -3.244  -1.182   0.609  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -3.596   0.184   1.187  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1       -3.092   1.280   0.263  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -1.647   1.134  -0.016  0.00  0.00    -0.332 N 
ATOM     13  C   LIG    1       -1.166   2.182  -0.932  0.00  0.00    +0.129 C 
ATOM     14  O   LIG    1       -1.892  -3.632   0.300  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        2.325  -1.828  -0.442  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -1.040  -0.144   0.058  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        3.217  -0.758  -0.380  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        4.912   1.496  -0.102  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        3.505   1.650   0.024  0.00  0.00    -0.495 OA
ENDBRANCH   1  19
TORSDOF 1