REMARK  Name = BDB045619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.379  -0.978  -0.241  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1        1.938   0.159  -0.813  0.00  0.00    -0.183 N 
ATOM      3  O   LIG    1        2.021  -1.700   0.526  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   4
ATOM      4  O   LIG    1        1.026   1.119  -1.311  0.00  0.00    -0.292 OA
ATOM      5  H   LIG    1        1.192   1.065  -2.270  0.00  0.00    +0.242 HD
ENDBRANCH   2   4
BRANCH   1   6
ATOM      6  C   LIG    1       -0.006  -1.375  -0.724  0.00  0.00    +0.113 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -0.868  -1.941   0.408  0.00  0.00    +0.093 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -1.269  -0.966   1.437  0.00  0.00    -0.305 NA
ATOM      9  C   LIG    1       -1.958  -1.635   2.539  0.00  0.00    +0.104 C 
BRANCH   8  10
ATOM     10  C   LIG    1       -2.012   0.204   0.948  0.00  0.00    +0.084 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.308  -0.087   0.177  0.00  0.00    +0.015 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -3.326   2.044  -1.232  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -4.067   1.185  -0.218  0.00  0.00    -0.002 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1        3.073   0.811  -0.161  0.00  0.00    +0.151 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.388   0.108  -0.476  0.00  0.00    +0.142 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.533   0.838   0.158  0.00  0.00    +0.306 C 
ATOM     17  O   LIG    1        5.490   1.880   0.789  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1        6.709   0.216  -0.055  0.00  0.00    -0.481 OA
ATOM     19  H   LIG    1        7.367   0.772   0.412  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 11