REMARK  Name = BDB062491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.904  -0.173  -0.068  0.00  0.00    +0.143 C 
ATOM      2  N   LIG    1       -2.262  -1.590   0.081  0.00  0.00    -0.240 N 
ATOM      3  C   LIG    1       -1.337  -2.588   0.283  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1       -2.069  -3.745   0.276  0.00  0.00    +0.182 A 
ATOM      5  C   LIG    1       -3.391  -3.374   0.003  0.00  0.00    +0.174 A 
ATOM      6  F   LIG    1       -1.603  -4.984   0.455  0.00  0.00    -0.200 F 
ATOM      7  N   LIG    1       -0.016  -2.311   0.435  0.00  0.00    -0.320 N 
ATOM      8  H   LIG    1        0.649  -3.079   0.335  0.00  0.00    +0.148 HD
ATOM      9  C   LIG    1        0.484  -1.012  -0.030  0.00  0.00    +0.105 C 
ATOM     10  N   LIG    1       -3.513  -2.050  -0.164  0.00  0.00    -0.174 NA
ATOM     11  C   LIG    1       -0.473   0.095   0.441  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.894  -0.757   0.488  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        2.875  -0.061  -0.287  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.165   0.158   0.251  0.00  0.00    +0.073 A 
ATOM     15  N   LIG    1        5.145   0.795  -0.410  0.00  0.00    -0.232 NA
ATOM     16  C   LIG    1        4.912   1.263  -1.642  0.00  0.00    +0.117 A 
ATOM     17  C   LIG    1        3.686   1.115  -2.262  0.00  0.00    +0.044 A 
ATOM     18  C   LIG    1        4.449  -0.295   1.529  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        3.499  -0.953   2.305  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.665   0.453  -1.583  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        2.230  -1.176   1.790  0.00  0.00    +0.006 A 
BRANCH  16  22
ATOM     22  N   LIG    1        5.957   1.921  -2.297  0.00  0.00    -0.343 N 
ATOM     23  H   LIG    1        5.681   2.872  -2.518  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        6.177   1.442  -3.164  0.00  0.00    +0.144 HD
ENDBRANCH  16  22
ENDBRANCH   9  12
BRANCH   1  27
ATOM     25  C   LIG    1       -3.150   2.194  -1.469  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1       -3.446   1.871  -0.033  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1       -2.890   0.760   0.618  0.00  0.00    -0.002 A 
ATOM     28  C   LIG    1       -3.244   0.562   1.965  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -4.117   1.437   2.600  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -4.609   2.502   1.873  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1       -4.289   2.738   0.585  0.00  0.00    -0.260 NA
ENDBRANCH   1  27
TORSDOF 3