REMARK  Name = BDB056145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.788   1.346  -1.508  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1        3.249   1.516  -2.822  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        4.420   0.967  -3.183  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        2.526   2.240  -3.766  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        1.306   2.805  -3.405  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.823   2.622  -2.109  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1        1.564   1.913  -1.153  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        3.410   0.346   0.708  0.00  0.00    +0.266 C 
ATOM      9  N   LIG    1        3.607   0.595  -0.636  0.00  0.00    -0.278 N 
ATOM     10  H   LIG    1        4.485   0.287  -1.041  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        2.504   0.820   1.383  0.00  0.00    -0.268 OA
BRANCH   8  17
ATOM     12  C   LIG    1        6.944  -1.705   3.684  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1        5.981  -1.413   2.596  0.00  0.00    +0.061 A 
ATOM     14  N   LIG    1        5.903  -2.214   1.529  0.00  0.00    -0.176 NA
ATOM     15  N   LIG    1        4.910  -1.685   0.790  0.00  0.00    -0.262 N 
ATOM     16  C   LIG    1        4.447  -2.418  -0.366  0.00  0.00    +0.173 C 
ATOM     17  C   LIG    1        4.425  -0.501   1.289  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        5.067  -0.343   2.503  0.00  0.00    +0.057 A 
ENDBRANCH   8  17
ENDBRANCH   1   9
BRANCH   6  19
ATOM     19  O   LIG    1       -0.370   3.222  -1.782  0.00  0.00    -0.454 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.410   2.429  -1.337  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -1.629   1.135  -1.645  0.00  0.00    +0.161 A 
ATOM     22  N   LIG    1       -2.752   0.489  -1.133  0.00  0.00    -0.215 N 
ATOM     23  C   LIG    1       -3.683   1.129  -0.315  0.00  0.00    +0.158 A 
ATOM     24  N   LIG    1       -4.635   0.289   0.017  0.00  0.00    -0.194 NA
ATOM     25  C   LIG    1       -4.267  -0.865  -0.603  0.00  0.00    +0.242 A 
ATOM     26  C   LIG    1       -3.465   2.499  -0.005  0.00  0.00    +0.052 A 
ATOM     27  N   LIG    1       -3.145  -0.793  -1.320  0.00  0.00    -0.129 NA
ATOM     28  C   LIG    1       -2.379   3.125  -0.499  0.00  0.00    +0.051 A 
BRANCH  25  29
ATOM     29  N   LIG    1       -4.973  -2.028  -0.542  0.00  0.00    -0.253 N 
ATOM     30  H   LIG    1       -4.591  -2.785  -1.087  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1       -6.123  -2.304   0.139  0.00  0.00    +0.222 C 
ATOM     32  O   LIG    1       -6.651  -3.409   0.039  0.00  0.00    -0.275 OA
BRANCH  31  33
ATOM     33  C   LIG    1       -6.737  -1.268   1.011  0.00  0.00    +0.075 C 
ATOM     34  C   LIG    1       -7.551  -1.675   2.221  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -6.205  -1.046   2.410  0.00  0.00    +0.013 C 
ENDBRANCH  31  33
ENDBRANCH  25  29
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 6