REMARK  Name = BDB016264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.128  -1.405   1.600  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -3.009   0.111   1.464  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.944   0.528   0.623  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.926   0.210  -0.705  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -3.037  -0.083  -1.514  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.822  -0.437  -2.860  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.546  -0.475  -3.413  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.450  -0.156  -2.624  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -4.394  -0.067  -1.144  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -5.064  -0.367  -1.843  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -5.029   0.297  -0.005  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -6.258   0.196   0.038  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.622   0.188  -1.274  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -4.273   0.871   1.147  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        0.564   0.517  -0.491  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        1.753  -0.183  -0.527  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1        2.606   0.438   0.348  0.00  0.00    -0.266 N 
ATOM     18  N   LIG    1        2.040   1.511   0.944  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        0.804   1.548   0.441  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.995   0.079   0.689  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        4.928   1.258   0.348  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        4.494  -1.160  -0.085  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        4.089  -0.232   2.196  0.00  0.00    +0.036 C 
ENDBRANCH  17  20
ENDBRANCH  13  15
TORSDOF 2