REMARK  Name = BDB058116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.232   0.747   1.030  0.00  0.00    +0.017 C 
ATOM      2  C   LIG    1       -0.298  -0.671   0.714  0.00  0.00    +0.060 C 
ATOM      3  C   LIG    1        1.014  -1.441   0.476  0.00  0.00    +0.119 C 
ATOM      4  N   LIG    1        1.938  -0.463  -0.081  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        3.054  -0.872  -0.761  0.00  0.00    +0.302 C 
ATOM      6  N   LIG    1        3.804   0.136  -1.304  0.00  0.00    -0.291 N 
ATOM      7  H   LIG    1        3.749   1.030  -0.841  0.00  0.00    +0.151 HD
ATOM      8  O   LIG    1        3.350  -2.053  -0.907  0.00  0.00    -0.253 OA
ATOM      9  C   LIG    1        1.437   0.892   0.094  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -1.223  -0.734  -0.469  0.00  0.00    +0.049 A 
ATOM     11  N   LIG    1       -2.600  -0.759  -0.404  0.00  0.00    -0.292 N 
ATOM     12  C   LIG    1       -3.073  -0.819  -1.699  0.00  0.00    +0.157 A 
ATOM     13  C   LIG    1       -4.498  -0.859  -1.962  0.00  0.00    +0.159 A 
ATOM     14  N   LIG    1       -5.403  -0.835  -1.013  0.00  0.00    -0.232 NA
ATOM     15  C   LIG    1       -4.875  -0.770   0.241  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1       -5.632  -0.732   1.379  0.00  0.00    -0.345 N 
ATOM     17  H   LIG    1       -6.643  -0.751   1.392  0.00  0.00    +0.167 HD
ATOM     18  C   LIG    1       -4.800  -0.661   2.474  0.00  0.00    +0.086 A 
ATOM     19  C   LIG    1       -3.488  -0.658   2.033  0.00  0.00    +0.047 A 
ATOM     20  N   LIG    1       -2.103  -0.830  -2.584  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1       -3.551  -0.729   0.633  0.00  0.00    +0.092 A 
ATOM     22  C   LIG    1       -0.956  -0.786  -1.832  0.00  0.00    +0.135 A 
ENDBRANCH   2  10
BRANCH   1  24
ATOM     23  C   LIG    1       -0.181   3.231   1.358  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -0.776   1.895   0.931  0.00  0.00    +0.002 C 
ENDBRANCH   1  24
BRANCH   6  25
ATOM     25  C   LIG    1        5.082  -0.182  -1.945  0.00  0.00    +0.218 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.253  -0.397  -0.983  0.00  0.00    +0.405 C 
ATOM     27  F   LIG    1        6.094  -1.462  -0.174  0.00  0.00    -0.169 F 
ATOM     28  F   LIG    1        7.406  -0.569  -1.671  0.00  0.00    -0.169 F 
ATOM     29  F   LIG    1        6.418   0.696  -0.197  0.00  0.00    -0.169 F 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 4