REMARK  Name = BDB053200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.031  -0.982   0.084  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.660  -0.939   0.396  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.186  -2.088   0.392  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.444  -3.334   0.171  0.00  0.00    +0.073 A 
ATOM      5  N   LIG    1       -0.188  -4.507   0.276  0.00  0.00    -0.254 NA
ATOM      6  C   LIG    1       -1.471  -4.501   0.680  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.207  -3.350   0.904  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -3.559  -3.441   1.433  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -4.251  -2.326   1.667  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -3.735  -0.990   1.292  0.00  0.00    +0.256 A 
ATOM     11  N   LIG    1       -2.447  -0.934   0.735  0.00  0.00    -0.276 N 
ATOM     12  O   LIG    1       -4.503  -0.040   1.445  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        1.793  -3.379  -0.144  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -1.601  -2.111   0.653  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        2.581  -2.228  -0.205  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        4.341   2.575   0.086  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        3.563   2.308   1.145  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        2.842   1.159   1.111  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.847   0.240   0.060  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.670   0.560  -1.024  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        4.420   1.737  -1.014  0.00  0.00    +0.044 A 
BRANCH  16  22
ATOM     22  N   LIG    1        5.054   3.768   0.123  0.00  0.00    -0.343 N 
ATOM     23  H   LIG    1        4.872   4.191   1.030  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        6.044   3.616  -0.029  0.00  0.00    +0.144 HD
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH  11  25
ATOM     25  C   LIG    1       -2.135   0.220  -0.059  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1       -2.316   1.510   0.464  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -2.025   2.655  -0.299  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1       -1.571   2.496  -1.616  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -1.411   1.222  -2.158  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -1.698   0.093  -1.388  0.00  0.00    +0.026 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -2.238   4.030   0.284  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -3.523   4.459   0.149  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -1.957   4.094   1.615  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -1.464   4.986  -0.303  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  11  25
TORSDOF 4