REMARK  Name = BDB041020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.225  -0.981   0.437  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -1.266  -0.027  -0.214  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -2.618  -0.665  -0.248  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.931  -0.190  -0.506  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.826  -1.190  -0.493  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -4.088  -2.301  -0.302  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -4.742  -3.586  -0.291  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -4.387   1.195  -0.788  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -2.760  -2.029  -0.160  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -1.738  -2.932  -0.020  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -1.874  -3.929  -0.126  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1       -0.442  -2.488   0.126  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        0.480  -3.308   0.154  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -1.378   1.283   0.558  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1       -0.898   2.464  -0.037  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -0.958   3.674   0.650  0.00  0.00    +0.159 A 
ATOM     17  F   LIG    1       -0.497   4.787   0.063  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -1.486   3.728   1.933  0.00  0.00    +0.158 A 
ATOM     19  F   LIG    1       -1.542   4.893   2.592  0.00  0.00    -0.202 F 
ATOM     20  C   LIG    1       -1.957   2.574   2.547  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -1.899   1.355   1.866  0.00  0.00    +0.007 A 
ENDBRANCH   2  14
BRANCH   1  23
ATOM     22  C   LIG    1        1.713  -0.463  -1.036  0.00  0.00    +0.245 C 
ATOM     23  N   LIG    1        1.185  -0.617   0.229  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        1.827  -0.984   0.922  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        1.040  -0.481  -2.059  0.00  0.00    -0.270 OA
BRANCH  22  29
ATOM     26  C   LIG    1        6.102   1.062   0.929  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.319   0.406  -0.170  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        3.926   0.274  -0.069  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1        3.192  -0.307  -1.112  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        3.848  -0.727  -2.274  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        5.231  -0.586  -2.385  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        5.962  -0.021  -1.339  0.00  0.00    +0.003 A 
ENDBRANCH  22  29
ENDBRANCH   1  23
TORSDOF 3