REMARK  Name = BDB000998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.706  -1.267   2.584  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.660  -0.664   1.518  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -1.427  -0.389   0.794  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -1.426   0.217  -0.446  0.00  0.00    +0.030 A 
ATOM      5  N   LIG    1       -0.138   0.338  -0.878  0.00  0.00    -0.357 N 
ATOM      6  H   LIG    1        0.155   0.764  -1.747  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        0.720  -0.189   0.070  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.652   0.642  -1.170  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -3.773   0.843  -0.129  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1       -0.072  -0.642   1.118  0.00  0.00    +0.041 A 
ATOM     11  N   LIG    1       -3.808  -0.196   0.900  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1       -4.633  -0.290   1.479  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        2.176  -0.200  -0.088  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.770  -0.390  -1.338  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        4.154  -0.389  -1.423  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        4.972  -0.210  -0.366  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        4.379  -0.036   0.833  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        3.006  -0.026   1.021  0.00  0.00    +0.029 A 
ENDBRANCH   7  13
TORSDOF 1