REMARK  Name = BDB061070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.801  -2.893  -0.290  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -3.811  -1.661  -0.358  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -2.946  -0.864  -1.342  0.00  0.00    +0.217 C 
ATOM      4  C   LIG    1       -2.056   0.199  -0.705  0.00  0.00    +0.148 C 
ATOM      5  N   LIG    1       -0.796  -0.521  -0.580  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1       -0.865  -1.566  -1.451  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1        0.097  -0.131   0.381  0.00  0.00    +0.189 C 
ATOM      8  N   LIG    1       -0.192   0.615   1.413  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1       -1.505   0.998   1.540  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1       -2.434   0.835   0.582  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -3.827   1.262   0.750  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.899   0.357   0.681  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -6.190   0.790   1.015  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -6.433   2.124   1.344  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.383   3.034   1.367  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.087   2.604   1.081  0.00  0.00    +0.010 A 
ATOM     17  N   LIG    1       -1.995  -1.807  -2.055  0.00  0.00    -0.261 NA
ATOM     18  N   LIG    1       -4.758  -1.006   0.382  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1       -5.452  -1.643   0.756  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   7  20
ATOM     20  N   LIG    1        1.378  -0.594   0.274  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        1.854  -0.372   1.144  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.202  -0.175  -0.851  0.00  0.00    +0.142 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.567  -0.786  -0.739  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.556  -0.271   0.095  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.519   0.877   1.033  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        6.012   0.999   1.337  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.652  -0.269   1.072  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.797  -0.889   0.199  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.112  -2.035  -0.503  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.139  -2.565  -1.349  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        3.888  -1.945  -1.460  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        2.978  -2.486  -2.284  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 3