REMARK  Name = BDB006930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.524  -3.273   3.624  0.00  0.00    +0.017 C 
ATOM      2  C   LIG    1       -0.888  -1.881   3.097  0.00  0.00    +0.009 C 
ATOM      3  C   LIG    1       -1.683  -1.976   1.825  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -0.995  -1.452   0.738  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.561  -1.463  -0.521  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.836  -2.013  -0.647  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1       -3.527  -2.533   0.408  0.00  0.00    -0.259 NA
ATOM      8  N   LIG    1        0.259  -0.957   1.144  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1        1.218  -0.391   0.306  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1        1.085  -0.302  -0.916  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -2.938  -2.505   1.623  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        0.375  -1.125   2.604  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1       -1.627  -1.077   4.171  0.00  0.00    +0.017 C 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1       -3.518  -2.040  -1.998  0.00  0.00    +0.090 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.019  -0.688  -2.453  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -5.151  -0.116  -1.855  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.612   1.135  -2.265  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.947   1.828  -3.275  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.818   1.271  -3.874  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.354   0.019  -3.465  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH   6  14
BRANCH   9  21
ATOM     21  C   LIG    1        2.483   0.123   1.036  0.00  0.00    +0.181 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.432   0.800   0.136  0.00  0.00    -0.291 NA
ATOM     23  C   LIG    1        2.946   2.091  -0.369  0.00  0.00    +0.106 C 
ATOM     24  C   LIG    1        3.892   2.660  -1.466  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1        5.335   2.402  -1.219  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        5.892   3.171  -1.585  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        5.605   2.142   0.191  0.00  0.00    +0.096 C 
ATOM     28  C   LIG    1        4.757   0.973   0.767  0.00  0.00    +0.100 C 
BRANCH  24  29
ATOM     29  C   LIG    1        3.518   2.092  -2.843  0.00  0.00    +0.233 C 
ATOM     30  F   LIG    1        4.182   2.793  -3.810  0.00  0.00    -0.247 F 
ENDBRANCH  24  29
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 5