REMARK  Name = BDB052404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.496  -0.839  -2.580  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.510  -0.632  -1.571  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.341  -0.165  -0.302  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.143   0.249   0.401  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.312   0.878   1.625  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.679   1.223   2.163  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.819   0.292   1.674  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.141   1.239   2.237  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        1.074   0.981   1.715  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        1.131   0.351   0.530  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        0.044  -0.024  -0.161  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -3.601  -0.136   0.263  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.482  -0.611  -0.737  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -3.803  -0.907  -1.869  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -5.938  -0.798  -0.642  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.599  -0.564   0.364  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.516  -1.268  -1.788  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -5.915  -1.473  -2.579  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.504  -1.460  -1.813  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.344   0.061  -0.095  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        2.135  -0.432  -0.957  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.689   0.118   0.302  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1        4.724  -0.087  -0.641  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1        6.075   0.024  -0.244  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.413   0.332   1.069  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.406   0.545   1.998  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.064   0.448   1.614  0.00  0.00    +0.024 A 
BRANCH  23  28
ATOM     28  C   LIG    1        4.444  -0.376  -2.095  0.00  0.00    +0.419 C 
ATOM     29  F   LIG    1        3.233  -0.971  -2.313  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        5.362  -1.211  -2.661  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        4.444   0.749  -2.862  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4