REMARK  Name = BDB038447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.774  -1.206   0.940  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        0.441  -0.647   0.501  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        1.624  -1.403   0.432  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        1.558  -2.745   0.821  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.360  -3.311   1.271  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.799  -2.542   1.339  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.837  -0.809  -0.017  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        4.082  -1.435  -0.125  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        4.439  -2.573   0.121  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        5.023  -0.427  -0.631  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        6.371  -0.563  -0.906  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        7.049   0.559  -1.382  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.370   1.778  -1.571  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.996   1.902  -1.288  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.338   0.769  -0.812  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.906   0.587  -0.427  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        4.261   3.200  -1.484  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        5.038   4.202  -1.976  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        3.729   3.672  -0.323  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        3.215   3.076  -2.347  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  23
ATOM     21  N   LIG    1       -3.110   1.355   1.544  0.00  0.00    -0.270 N 
ATOM     22  N   LIG    1       -1.868   0.859   1.582  0.00  0.00    -0.171 NA
ATOM     23  C   LIG    1       -1.967  -0.362   1.023  0.00  0.00    +0.103 A 
ATOM     24  C   LIG    1       -3.308  -0.601   0.584  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -4.014   0.522   0.956  0.00  0.00    +0.120 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.881  -1.841  -0.177  0.00  0.00    +0.167 A 
ATOM     27  N   LIG    1       -5.169  -2.079  -0.586  0.00  0.00    -0.316 N 
ATOM     28  C   LIG    1       -6.334  -1.258  -0.415  0.00  0.00    +0.152 C 
ATOM     29  C   LIG    1       -5.159  -3.293  -1.206  0.00  0.00    +0.225 A 
ATOM     30  N   LIG    1       -3.945  -3.783  -1.190  0.00  0.00    -0.138 NA
ATOM     31  N   LIG    1       -3.145  -2.870  -0.550  0.00  0.00    -0.129 NA
ENDBRANCH  24  26
BRANCH  21  33
ATOM     32  C   LIG    1       -3.042   3.781   1.118  0.00  0.00    +0.029 C 
ATOM     33  C   LIG    1       -3.372   2.670   2.099  0.00  0.00    +0.140 C 
ENDBRANCH  21  33
ENDBRANCH   1  23
TORSDOF 5