REMARK  Name = BDB005550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.447  -2.509  -0.366  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -1.012  -1.161  -0.592  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -0.453  -0.047   0.081  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.007   0.234  -0.003  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.571   1.183   0.866  0.00  0.00    +0.051 A 
ATOM      6  N   LIG    1        0.739   1.933   1.700  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1        1.123   2.655   2.292  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -0.623   1.871   1.648  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1       -1.317   2.632   2.316  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        2.943   1.454   0.864  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.768   0.816  -0.058  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.211  -0.059  -0.981  0.00  0.00    +0.118 A 
ATOM     13  C   LIG    1        1.845  -0.342  -0.970  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1       -1.218   0.821   0.777  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -2.717   0.767   0.715  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.164   0.103  -0.584  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.488  -1.252  -0.735  0.00  0.00    +0.105 C 
ENDROOT
BRANCH  12  18
ATOM     18  O   LIG    1        4.044  -0.624  -1.902  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        3.514  -1.167  -2.508  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
TORSDOF 1