REMARK  Name = BDB001328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.942   1.990  -3.714  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -1.814   1.247  -2.432  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.717   1.049  -1.607  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1       -1.194   0.284  -0.479  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -0.396  -0.107   0.722  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.539  -0.009  -0.701  0.00  0.00    +0.044 A 
ATOM      7  N   LIG    1       -2.887   0.595  -1.882  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -3.810   0.572  -2.305  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.471  -0.758   0.074  0.00  0.00    +0.039 C 
ATOM     10  C   LIG    1       -4.760  -1.049  -0.173  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1       -5.588  -1.861   0.743  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -6.853  -1.959   0.154  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -7.899  -2.654   0.731  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -7.652  -3.276   1.955  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -6.387  -3.181   2.553  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1       -6.178  -3.786   3.730  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1       -6.881  -1.271  -1.052  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -7.677  -1.188  -1.667  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -5.341  -2.476   1.958  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -5.658  -0.686  -1.332  0.00  0.00    +0.249 C 
ATOM     21  O   LIG    1       -5.394  -0.018  -2.313  0.00  0.00    -0.270 OA
ENDBRANCH   6   9
BRANCH   3  22
ATOM     22  C   LIG    1        0.625   1.569  -1.892  0.00  0.00    +0.246 C 
ATOM     23  N   LIG    1        1.648   0.770  -1.436  0.00  0.00    -0.309 N 
ATOM     24  H   LIG    1        1.414  -0.189  -1.211  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1        0.823   2.603  -2.522  0.00  0.00    -0.270 OA
BRANCH  23  26
ATOM     26  C   LIG    1        3.023   0.999  -1.835  0.00  0.00    +0.137 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.014   0.347  -0.865  0.00  0.00    +0.145 C 
BRANCH  27  28
ATOM     28  O   LIG    1        3.673  -1.039  -0.689  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1        4.090  -1.287   0.161  0.00  0.00    +0.210 HD
ENDBRANCH  27  28
BRANCH  27  30
ATOM     30  C   LIG    1        4.023   1.043   0.515  0.00  0.00    +0.117 C 
BRANCH  30  31
ATOM     31  N   LIG    1        4.883   0.325   1.488  0.00  0.00    -0.296 NA
ATOM     32  C   LIG    1        4.699   0.858   2.859  0.00  0.00    +0.112 C 
ATOM     33  C   LIG    1        5.774   1.875   3.274  0.00  0.00    +0.175 C 
ATOM     34  O   LIG    1        7.102   1.335   3.245  0.00  0.00    -0.377 OA
ATOM     35  C   LIG    1        7.251   0.255   2.315  0.00  0.00    +0.175 C 
ATOM     36  C   LIG    1        6.316   0.389   1.103  0.00  0.00    +0.112 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   3  22
TORSDOF 7