REMARK  Name = BDB021558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.232  -0.766   0.605  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.552  -1.212   1.935  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.281  -1.086   2.437  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.197  -1.409  -0.406  0.00  0.00    +0.140 C 
BRANCH   4   7
ATOM      5  O   LIG    1        1.974   0.894  -1.639  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        2.827   0.339  -0.942  0.00  0.00    +0.250 C 
ATOM      7  N   LIG    1        2.560  -0.868  -0.307  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        3.425  -1.421   0.725  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1        3.731  -0.368   1.776  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        4.922   0.344   1.466  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1        5.036   0.956   0.256  0.00  0.00    +0.151 A 
ATOM     12  C   LIG    1        6.238   1.655   0.117  0.00  0.00    +0.157 A 
ATOM     13  N   LIG    1        6.619   2.360  -0.974  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1        5.752   2.383  -1.998  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.536   1.727  -1.973  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        4.163   0.988  -0.832  0.00  0.00    +0.081 A 
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -1.229  -1.157   0.295  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.157  -0.719   1.367  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -3.496  -1.319   1.181  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -4.332  -0.692   0.085  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -4.088   0.625  -0.346  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.898   1.193  -1.338  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.957   0.469  -1.884  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.213  -0.829  -1.446  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.922   1.404   0.209  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -5.407  -1.406  -0.464  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.312   0.747   1.456  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5