REMARK  Name = BDB048843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.126   1.514  -0.801  0.00  0.00    -0.083 NA
ATOM      2  C   LIG    1       -1.262   0.398  -0.172  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1       -2.543  -0.336  -0.209  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.527  -1.221   0.874  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.640  -1.982   1.164  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -4.753  -1.870   0.320  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.750  -0.983  -0.775  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.343  -1.107   1.605  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1       -0.985  -1.892   2.144  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1       -3.634  -0.189  -1.044  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.428  -0.379   0.839  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        0.909  -0.507   0.874  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1        2.012  -0.074   0.003  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.196  -0.434   0.662  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        4.448  -0.195   0.120  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        4.517   0.395  -1.141  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        3.338   0.705  -1.840  0.00  0.00    +0.002 A 
ATOM     18 BR   LIG    1        6.032  -0.677   1.026  0.00  0.00    -0.048 Br
ATOM     19  N   LIG    1        2.903  -1.108   1.848  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        3.589  -1.527   2.459  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.081   0.452  -1.276  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.541  -1.267   2.014  0.00  0.00    +0.251 C 
ATOM     23  O   LIG    1        0.980  -1.905   2.886  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1       -0.019   3.514  -0.942  0.00  0.00    +0.313 C 
ATOM     25  O   LIG    1       -0.011   2.224  -0.343  0.00  0.00    -0.397 OA
ENDBRANCH   1  25
TORSDOF 1