REMARK  Name = BDB060625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.133  -0.377  -0.515  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.922   0.958  -0.751  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        1.875   2.082  -0.940  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1        0.917   3.290  -0.902  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -0.447   2.781  -1.200  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -1.557   3.461  -0.516  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -1.182   4.935  -0.297  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -0.005   5.118   0.515  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1        0.915   4.014   0.462  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.375   1.395  -0.912  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -1.435   0.598  -0.810  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -1.156  -0.689  -0.578  0.00  0.00    +0.167 A 
ATOM     13  N   LIG    1        0.083  -1.213  -0.445  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        4.515  -0.449   0.897  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1        2.992  -0.586   1.000  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1        2.438  -0.868  -0.354  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1        2.611  -2.281  -0.774  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1        2.263  -3.289   0.332  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1        2.958  -2.994   1.553  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1        2.597  -1.685   2.013  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1       -2.282  -1.609  -0.481  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1       -3.505  -1.324   0.117  0.00  0.00    +0.159 A 
ATOM     23  N   LIG    1       -4.532  -2.232   0.141  0.00  0.00    -0.210 NA
ATOM     24  C   LIG    1       -4.335  -3.421  -0.425  0.00  0.00    +0.213 A 
ATOM     25  N   LIG    1       -3.190  -3.804  -0.982  0.00  0.00    -0.222 NA
ATOM     26  C   LIG    1       -2.197  -2.888  -1.003  0.00  0.00    +0.128 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.753   0.004   0.818  0.00  0.00    +0.435 C 
ATOM     28  F   LIG    1       -2.716   0.403   1.614  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -4.015   1.039  -0.029  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1       -4.829  -0.037   1.665  0.00  0.00    -0.164 F 
ENDBRANCH  22  27
BRANCH  24  31
ATOM     31  N   LIG    1       -5.368  -4.328  -0.388  0.00  0.00    -0.327 N 
ATOM     32  H   LIG    1       -5.010  -5.270  -0.456  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -5.997  -4.119   0.374  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  12  21
TORSDOF 4