REMARK  Name = BDB045289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.298  -1.976  -1.485  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.751  -0.850  -0.598  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -1.810  -0.042   0.065  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.273   0.998   0.879  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.269   1.826   1.564  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1        0.040   1.512   1.304  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1        0.714   2.056   1.820  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        0.422   0.469   0.492  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -1.577   2.736   2.326  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -3.639   1.246   1.048  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -4.565   0.443   0.390  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -0.435  -0.296  -0.105  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -4.124  -0.599  -0.429  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        1.883   0.235   0.338  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        2.814   1.278   0.439  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        4.178   1.011   0.287  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.605  -0.286   0.029  0.00  0.00    +0.117 A 
ATOM     18  C   LIG    1        3.693  -1.329  -0.088  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.329  -1.065   0.062  0.00  0.00    +0.015 A 
BRANCH  17  20
ATOM     20  O   LIG    1        5.945  -0.495  -0.111  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        6.097  -1.435  -0.302  0.00  0.00    +0.292 HD
ENDBRANCH  17  20
ENDBRANCH   8  14
TORSDOF 2