REMARK  Name = BDB016262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.268   1.064   0.952  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.497   0.816   0.311  0.00  0.00    +0.151 A 
ATOM      3  O   LIG    1       -1.496   0.229  -0.931  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.042  -1.092  -0.956  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.394  -1.242  -0.275  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.298  -0.044  -0.439  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -3.936   1.112   0.202  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -4.690   1.777   0.322  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -5.380  -0.122  -1.020  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.134  -1.484  -2.430  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -2.693   1.366   0.805  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -2.658   2.224   1.904  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -1.448   2.474   2.551  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.267   1.890   2.086  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  25
ATOM     15  C   LIG    1        2.215  -0.350   2.555  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        2.081  -0.072   1.097  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        3.061  -0.388   0.098  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        2.543  -0.001  -1.135  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.235  -0.172  -2.340  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        4.503  -0.756  -2.281  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        5.052  -1.154  -1.065  0.00  0.00    +0.001 A 
ATOM     22  N   LIG    1        1.304   0.533  -0.895  0.00  0.00    -0.354 N 
ATOM     23  H   LIG    1        0.676   0.880  -1.608  0.00  0.00    +0.166 HD
ATOM     24  C   LIG    1        4.343  -0.977   0.130  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        1.001   0.520   0.449  0.00  0.00    +0.054 A 
ENDBRANCH   1  25
TORSDOF 1