REMARK  Name = BDB052256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.509  -1.206  -2.353  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.500  -1.011  -1.388  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.834  -1.085  -0.040  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.655  -0.859   0.618  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -2.523  -0.847   1.621  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.654  -0.656  -0.306  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -5.127  -1.345   0.422  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.118  -1.536  -0.546  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.149  -0.740  -1.529  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.818  -1.470  -1.909  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.256  -0.393   0.048  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        0.179  -0.311   1.375  0.00  0.00    +0.134 A 
ATOM     13  F   LIG    1       -0.693  -0.466   2.385  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        1.514  -0.063   1.692  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        2.468   0.106   0.679  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        2.038   0.040  -0.655  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        0.695  -0.210  -0.965  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  C   LIG    1        3.917   0.399   0.987  0.00  0.00    +0.084 C 
ATOM     19  N   LIG    1        4.391  -0.239   2.222  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        4.607  -1.220   2.052  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1        5.588   0.505   2.599  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        5.185   1.947   2.360  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        4.196   1.889   1.201  0.00  0.00    +0.025 C 
ENDBRANCH  15  18
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1       -2.957  -0.862  -4.195  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -2.224  -0.709  -3.506  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -2.741  -0.811  -5.179  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -4.235  -1.145  -3.807  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -5.118  -1.337  -4.634  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3