REMARK  Name = BDB052982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.213   0.781   0.118  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -0.732   1.930   0.003  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.094   1.647  -0.014  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.036   2.683  -0.121  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.615   4.007  -0.211  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.255   4.299  -0.194  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.558   0.253   0.080  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -3.766   0.029   0.062  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.573  -0.722   0.183  0.00  0.00    -0.225 N 
ATOM     10  C   LIG    1       -0.314   3.268  -0.088  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -0.230  -0.447   0.200  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.915  -2.153   0.283  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -2.629  -2.667  -0.967  0.00  0.00    +0.032 C 
ATOM     14  C   LIG    1       -2.701  -2.473   1.554  0.00  0.00    +0.032 C 
ENDBRANCH   9  12
BRANCH   1  15
ATOM     15  N   LIG    1        1.587   1.018   0.139  0.00  0.00    -0.283 N 
ATOM     16  H   LIG    1        1.887   1.981   0.073  0.00  0.00    +0.155 HD
BRANCH  15  22
ATOM     17  C   LIG    1        5.880  -1.501   0.456  0.00  0.00    +0.067 C 
ATOM     18  C   LIG    1        4.464  -1.069   0.382  0.00  0.00    +0.062 A 
ATOM     19  N   LIG    1        3.482  -1.978   0.424  0.00  0.00    -0.178 NA
ATOM     20  N   LIG    1        2.360  -1.240   0.335  0.00  0.00    -0.264 N 
ATOM     21  H   LIG    1        1.451  -1.692   0.344  0.00  0.00    +0.190 HD
ATOM     22  C   LIG    1        2.591   0.107   0.238  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        3.957   0.249   0.266  0.00  0.00    +0.068 A 
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 3