REMARK  Name = BDB021165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.712  -0.745   0.393  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1       -2.251   0.605   0.495  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -0.945   0.859   0.118  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.714   2.198   0.319  0.00  0.00    +0.131 A 
ATOM      5  CA  LIG    1       -1.899   2.724   0.797  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1       -0.075  -0.139  -0.364  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.504  -1.367  -0.446  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1       -2.840   1.716   0.895  0.00  0.00    -0.219 NA
ATOM      9  C   LIG    1       -1.802  -1.634  -0.068  0.00  0.00    +0.144 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.937  -3.305   1.297  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.898  -2.263   1.153  0.00  0.00    +0.056 A 
ATOM     12  N   LIG    1       -6.165  -0.967   1.483  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1       -5.051  -0.310   1.241  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -4.031  -1.113   0.756  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1       -4.602  -2.379   0.706  0.00  0.00    +0.115 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1       -2.162   4.111   1.160  0.00  0.00    +0.357 C 
ATOM     17  O   LIG    1       -3.215   4.561   1.589  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -1.105   4.943   0.985  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -1.470   5.804   1.276  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   6  20
ATOM     20  N   LIG    1        1.206   0.216  -0.728  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.363   1.186  -0.979  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.062  -0.704  -1.456  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.461  -0.162  -1.492  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.274  -0.128  -0.362  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.982  -0.527   1.036  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.401  -0.489   1.605  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.213   0.384   0.785  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.554   0.407  -0.416  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.085   0.931  -1.577  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.293   0.900  -2.724  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.001   0.361  -2.674  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.263   0.367  -3.793  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6