REMARK  Name = BDB037083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.394  -1.097   0.538  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.321  -0.221   0.655  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        1.356   0.957   0.950  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.102  -0.995   0.370  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1        0.490  -2.295   0.045  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -0.454  -3.254  -0.281  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.803  -2.886  -0.267  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -2.199  -1.573   0.073  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -3.660  -1.211   0.056  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -3.925   0.091   0.803  0.00  0.00    +0.053 C 
ATOM     11  C   LIG    1       -2.885   1.129   0.382  0.00  0.00    +0.111 C 
ATOM     12  C   LIG    1       -3.026   1.729  -1.053  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -3.852   2.877  -0.449  0.00  0.00    +0.008 C 
ATOM     14  C   LIG    1       -3.200   2.563   0.907  0.00  0.00    +0.048 C 
ATOM     15  O   LIG    1       -1.554   0.671   0.727  0.00  0.00    -0.485 OA
ATOM     16  C   LIG    1       -1.227  -0.611   0.382  0.00  0.00    +0.137 A 
ATOM     17  C   LIG    1        1.974  -2.418   0.094  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  24
ATOM     18  O   LIG    1        4.114   2.896  -1.093  0.00  0.00    -0.252 OA
ATOM     19  C   LIG    1        4.326   1.858  -0.479  0.00  0.00    +0.306 C 
ATOM     20  N   LIG    1        4.848   0.756  -1.086  0.00  0.00    -0.239 N 
ATOM     21  H   LIG    1        5.043   0.897  -2.067  0.00  0.00    +0.159 HD
ATOM     22  C   LIG    1        4.402  -0.505  -0.795  0.00  0.00    +0.242 C 
ATOM     23  O   LIG    1        4.410  -1.381  -1.663  0.00  0.00    -0.273 OA
ATOM     24  C   LIG    1        3.819  -0.747   0.605  0.00  0.00    +0.180 C 
ATOM     25  C   LIG    1        4.178   0.437   1.506  0.00  0.00    +0.137 C 
ATOM     26  N   LIG    1        4.006   1.703   0.834  0.00  0.00    -0.297 N 
ATOM     27  H   LIG    1        3.299   2.351   1.172  0.00  0.00    +0.150 HD
ENDBRANCH   1  24
TORSDOF 1