REMARK  Name = BDB017590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.397  -2.349  -1.934  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.825  -1.553  -1.195  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.485  -0.307  -0.722  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.892  -0.062  -1.200  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.598   1.046  -0.413  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.664   2.230  -0.192  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.441   1.770   0.457  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.771   2.517   0.613  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.843   0.570   0.077  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.471   0.257   0.546  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.849  -0.910   0.077  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.552  -1.252   0.469  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.840  -0.432   1.355  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.466   0.715   1.857  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.765   1.054   1.458  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.541  -1.766  -0.784  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.106  -2.616  -1.118  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.556  -0.809   1.808  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.454  -1.161   0.698  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.658  -1.848   1.216  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.901  -1.732   0.305  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        4.285  -0.321   0.142  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        3.189   0.663   0.193  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        1.825   0.007  -0.132  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.573   0.055  -0.201  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        6.024   1.377  -0.027  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1        7.326   1.766  -0.365  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        8.204   0.831  -0.885  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        9.450   1.198  -1.210  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.804  -0.482  -1.070  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1        6.501  -0.861  -0.728  0.00  0.00    +0.026 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3