REMARK  Name = BDB053768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.336   0.621   0.715  0.00  0.00    +0.043 A 
ATOM      2  N   LIG    1       -0.954   1.462  -0.222  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1        0.029   2.275  -0.760  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.223   1.988  -0.149  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        2.342   2.722  -0.479  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1        3.227   2.549  -0.022  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        2.280   3.735  -1.409  0.00  0.00    +0.249 A 
ATOM      8  C   LIG    1        0.943   4.023  -2.022  0.00  0.00    +0.072 A 
ATOM      9  O   LIG    1        3.267   4.389  -1.732  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.155   3.317  -1.701  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        1.026   0.942   0.773  0.00  0.00    +0.082 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        2.000   0.311   1.657  0.00  0.00    +0.250 C 
ATOM     13  N   LIG    1        3.160  -0.200   1.080  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        4.169  -0.774   1.971  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        5.522  -0.955   1.265  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1        5.470  -1.792   0.054  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1        6.180  -1.467  -0.601  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        4.146  -1.778  -0.585  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1        3.322  -0.498  -0.350  0.00  0.00    +0.123 C 
ATOM     20  O   LIG    1        1.791   0.247   2.867  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   2  21
ATOM     21  C   LIG    1       -2.330   1.465  -0.575  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -3.306   1.580   0.419  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -4.656   1.577   0.065  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.029   1.457  -1.273  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.055   1.346  -2.265  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.703   1.353  -1.920  0.00  0.00    +0.026 A 
ENDBRANCH   2  21
BRANCH   1  27
ATOM     27  C   LIG    1       -1.043  -0.497   1.449  0.00  0.00    +0.090 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -3.616  -1.895   2.153  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.849  -2.232   0.905  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -1.642  -1.580   0.561  0.00  0.00    -0.036 A 
ATOM     31  C   LIG    1       -0.956  -2.004  -0.597  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.476  -2.996  -1.430  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -2.687  -3.597  -1.111  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -3.357  -3.216   0.045  0.00  0.00    +0.127 A 
ATOM     35  F   LIG    1       -4.516  -3.826   0.336  0.00  0.00    -0.205 F 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 4