REMARK  Name = BDB004544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.975  -0.525   0.091  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.737   0.007   0.508  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.566  -0.609   0.024  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.338  -0.051   0.439  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.278   0.985   1.287  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.436   1.492   1.698  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.657  -1.740  -0.828  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.885  -2.251  -1.222  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.654   1.067   1.344  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.042  -1.641  -0.767  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.307   1.117   1.347  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.439   1.521   1.688  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.192   1.491   1.655  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.296   0.036   0.517  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.355  -0.453   0.137  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.870  -0.611  -0.028  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1       -0.846  -0.659  -1.042  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.124  -0.015   0.462  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1       -3.254  -1.017   0.212  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.595  -0.455   0.686  0.00  0.00    +0.082 C 
ATOM     21  N   LIG    1       -4.754   0.983   0.467  0.00  0.00    -0.316 NA
ATOM     22  H   LIG    1       -5.733   1.200   0.280  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.902   1.487  -0.599  0.00  0.00    +0.082 C 
ATOM     24  C   LIG    1       -2.426   1.324  -0.237  0.00  0.00    +0.037 C 
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 3