REMARK  Name = BDB005545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.914   0.081  -0.438  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.598   0.521  -0.263  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.552  -0.395  -0.048  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.857  -1.765  -0.056  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -0.166  -2.706   0.082  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        0.039  -3.695   0.057  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -1.486  -2.378   0.200  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -1.818  -0.929   0.242  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -3.272  -0.573   0.410  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -3.554   0.903   0.113  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -2.488   1.793   0.741  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -1.168   1.370   0.283  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -0.418   1.910   0.704  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -2.351  -3.245   0.287  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        2.167  -2.213  -0.223  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -0.859   0.016   0.160  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        3.192  -1.287  -0.406  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        3.780   2.276  -0.753  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.008   0.876  -0.648  0.00  0.00    -0.495 OA
ENDBRANCH   1  19
TORSDOF 1