REMARK  Name = BDB001643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.676  -0.513   0.435  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -2.733   0.322   0.048  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1       -4.095   0.108   0.201  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -4.754   1.158  -0.235  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1       -3.849   2.058  -0.737  0.00  0.00    -0.136 NA
ATOM      6  C   LIG    1       -2.655   1.537  -0.588  0.00  0.00    +0.233 A 
ATOM      7  O   LIG    1       -1.951  -1.618   0.903  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        3.936   0.826  -0.035  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        2.479   0.461   0.075  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1        1.990  -0.764  -0.423  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        2.901  -1.760  -1.089  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        0.625  -1.063  -0.293  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -0.246  -0.153   0.315  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        0.241   1.046   0.836  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        1.596   1.351   0.709  0.00  0.00    +0.004 A 
ENDBRANCH   1  13
BRANCH   3  16
ATOM     16  N   LIG    1       -4.612  -1.016   0.729  0.00  0.00    -0.327 N 
ATOM     17  H   LIG    1       -4.005  -1.692   1.194  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -5.581  -1.014   1.030  0.00  0.00    +0.145 HD
ENDBRANCH   3  16
TORSDOF 2