REMARK  Name = BDB051700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.657   0.575   0.264  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        2.707  -0.109  -0.542  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        2.784  -0.692  -1.914  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        1.699  -1.780  -2.128  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        0.383  -1.497  -1.446  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        0.306  -0.736  -0.290  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -0.820  -0.496   0.397  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1       -1.932  -1.064  -0.086  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1       -1.970  -1.827  -1.190  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -0.812  -2.038  -1.844  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        1.534  -0.129   0.186  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        1.812   0.497   1.362  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1        0.923   0.713   2.481  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        3.091   0.937   1.440  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        7.135   2.098   0.505  0.00  0.00    +0.167 C 
ATOM     16  N   LIG    1        5.853   1.533   0.861  0.00  0.00    -0.182 N 
ATOM     17  C   LIG    1        5.066   0.880  -0.084  0.00  0.00    +0.289 C 
ATOM     18  O   LIG    1        5.526   0.536  -1.176  0.00  0.00    -0.266 OA
BRANCH  16  19
ATOM     19  O   LIG    1        5.287   2.255   1.936  0.00  0.00    -0.292 OA
ATOM     20  H   LIG    1        4.382   1.876   2.023  0.00  0.00    +0.242 HD
ENDBRANCH  16  19
ENDBRANCH   1  17
BRANCH   8  21
ATOM     21  N   LIG    1       -3.087  -0.808   0.633  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -2.907   0.003   1.212  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.338  -0.804  -0.111  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1       -4.468   0.457  -0.987  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -5.692   1.212  -0.475  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -5.843   0.755   0.964  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -5.507  -0.726   0.882  0.00  0.00    +0.022 C 
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4