REMARK  Name = BDB062241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.934   0.173  -0.504  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -1.601   1.201  -1.394  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1       -0.331   1.171  -1.984  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -0.045   2.239  -2.835  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -0.898   3.240  -3.123  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -2.082   3.166  -2.512  0.00  0.00    +0.221 A 
ATOM      7  C   LIG    1        0.567   0.121  -1.687  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        0.245  -0.848  -0.815  0.00  0.00    -0.239 NA
ATOM      9  N   LIG    1       -2.469   2.202  -1.666  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -0.981  -0.806  -0.252  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -6.958  -0.289   2.240  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -5.652  -0.437   1.604  0.00  0.00    -0.301 NA
ATOM     13  C   LIG    1       -4.643   0.399   2.269  0.00  0.00    +0.089 C 
ATOM     14  C   LIG    1       -3.242   0.118   1.695  0.00  0.00    +0.051 C 
ATOM     15  C   LIG    1       -3.238   0.093   0.187  0.00  0.00    -0.038 C 
ATOM     16  C   LIG    1       -4.393  -0.006  -0.496  0.00  0.00    -0.007 C 
ATOM     17  C   LIG    1       -5.735  -0.104   0.173  0.00  0.00    +0.111 C 
ENDBRANCH   1  15
BRANCH   7  18
ATOM     18  N   LIG    1        1.836   0.089  -2.300  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        1.696   0.075  -3.309  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.720  -1.015  -1.898  0.00  0.00    +0.147 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.345  -0.827  -0.509  0.00  0.00    +0.195 C 
ATOM     22  O   LIG    1        4.294  -1.911  -0.271  0.00  0.00    -0.487 OA
ATOM     23  C   LIG    1        5.291  -1.322   0.460  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        5.226   0.064   0.474  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.172   0.811   1.153  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        7.179   0.121   1.825  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        7.248  -1.278   1.810  0.00  0.00    +0.042 A 
ATOM     28  F   LIG    1        8.111   0.813   2.496  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.292  -2.017   1.111  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        4.093   0.510  -0.367  0.00  0.00    +0.085 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4