REMARK  Name = BDB038912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -2.488  -2.561  -1.333  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -1.364  -1.956  -0.854  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -1.358  -0.605  -0.712  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -2.523   0.101  -1.035  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -2.812   1.446  -0.940  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -2.172   2.145  -0.589  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.088   1.710  -1.376  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -4.655   0.491  -1.748  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.982   0.481  -2.232  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -6.687   1.686  -2.328  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -6.086   2.879  -1.947  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -6.781   4.020  -2.046  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.780   2.924  -1.463  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -3.672  -0.524  -1.522  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.662  -1.915  -1.688  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  16
ATOM     16  C   LIG    1       -0.135   0.019  -0.211  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        0.486   1.075  -0.894  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        1.654   1.662  -0.397  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.230   1.211   0.791  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        1.638   0.149   1.469  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        0.469  -0.441   0.970  0.00  0.00    +0.013 A 
BRANCH  19  22
ATOM     22  O   LIG    1        3.372   1.869   1.155  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.914   1.627   2.457  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.814   0.413   2.524  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        4.944  -0.292   3.730  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        5.791  -1.399   3.817  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.524  -1.806   2.705  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.416  -1.104   1.506  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.571   0.003   1.417  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   3  16
BRANCH   1  31
ATOM     30  O   LIG    1       -3.281  -4.774  -1.859  0.00  0.00    -0.243 OA
ATOM     31  C   LIG    1       -2.388  -4.043  -1.470  0.00  0.00    +0.355 C 
BRANCH  31  32
ATOM     32  OXT LIG    1       -1.154  -4.466  -1.097  0.00  0.00    -0.476 OA
ATOM     33  HXT LIG    1       -0.619  -3.679  -0.833  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 6