REMARK  Name = BDB047604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.374   3.206   0.201  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.217   2.845   0.144  0.00  0.00    +0.263 A 
ATOM      3  C   LIG    1       -1.724   1.470   0.120  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -2.374   0.269   0.153  0.00  0.00    +0.139 A 
ATOM      5  O   LIG    1       -3.724   0.073   0.237  0.00  0.00    -0.491 OA
ATOM      6  C   LIG    1       -3.894  -1.332  -0.060  0.00  0.00    +0.234 C 
ATOM      7  C   LIG    1       -2.586  -2.063   0.239  0.00  0.00    +0.082 C 
ATOM      8  C   LIG    1       -1.645  -0.916   0.120  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -0.246  -0.866   0.046  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        0.454   0.353  -0.001  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        1.849   0.033  -0.076  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.958  -1.360  -0.065  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        3.187  -2.030  -0.126  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.347  -1.255  -0.200  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.277   0.134  -0.212  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.039   0.786  -0.150  0.00  0.00    +0.010 A 
ATOM     17  N   LIG    1        0.686  -1.873   0.014  0.00  0.00    -0.354 N 
ATOM     18  H   LIG    1        0.471  -2.859   0.040  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -0.335   1.517   0.040  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1        0.044   2.928   0.016  0.00  0.00    +0.260 A 
ATOM     21  O   LIG    1        1.165   3.388  -0.053  0.00  0.00    -0.267 OA
ATOM     22  N   LIG    1       -1.115   3.640   0.084  0.00  0.00    -0.289 N 
ATOM     23  H   LIG    1       -1.154   4.646   0.080  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0