REMARK  Name = BDB063849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.453  -4.619   0.890  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.717  -3.692   0.623  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.046  -2.253   0.447  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.290  -1.782   0.600  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.897  -1.561   0.138  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.043  -2.453   0.127  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.377  -3.708   0.408  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.171  -4.548   0.427  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.715  -0.378   0.467  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.753   0.075   1.301  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1        5.149   1.397   1.130  0.00  0.00    +0.156 A 
ATOM     12  C   LIG    1        4.608   2.272   0.203  0.00  0.00    +0.109 A 
ATOM     13  N   LIG    1        5.226   3.494   0.299  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1        6.101   3.312   1.264  0.00  0.00    +0.309 A 
ATOM     15  C   LIG    1        3.588   1.817  -0.638  0.00  0.00    +0.032 A 
ATOM     16  O   LIG    1        6.118   2.067   1.820  0.00  0.00    -0.442 OA
ATOM     17  C   LIG    1        3.159   0.486  -0.496  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.365  -2.264  -0.130  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.981  -3.021   0.141  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.024  -0.968  -0.282  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -1.906  -0.123   1.006  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -2.654   1.212   0.839  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -2.057   1.982  -0.353  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -2.205   1.159  -1.645  0.00  0.00    -0.008 C 
ATOM     25  C   LIG    1       -3.694   0.879  -1.901  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.291   0.100  -0.719  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -4.141   0.930   0.566  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -1.456  -0.176  -1.482  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -3.531  -1.226  -0.553  0.00  0.00    +0.029 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3