REMARK  Name = BDB004120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.133  -0.155   0.155  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1        0.489   0.812   0.820  0.00  0.00    +0.096 A 
ATOM      3  C   LIG    1       -0.982   0.929   0.845  0.00  0.00    +0.270 A 
ATOM      4  O   LIG    1       -1.491   1.880   1.436  0.00  0.00    -0.266 OA
ATOM      5  N   LIG    1       -1.690  -0.060   0.178  0.00  0.00    -0.217 N 
ATOM      6  N   LIG    1       -1.088  -1.068  -0.541  0.00  0.00    -0.174 NA
ATOM      7  C   LIG    1        0.206  -1.103  -0.531  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.163  -0.038   0.154  0.00  0.00    +0.197 C 
ATOM      9  C   LIG    1       -3.712  -0.229   1.579  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -3.038  -0.668   2.515  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -5.058  -0.042   1.800  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -5.271  -0.344   2.744  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -6.066  -0.409   0.945  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -6.998  -1.099   1.354  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.974   0.011  -0.505  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1       -5.218   1.317  -0.693  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -3.696   1.185  -0.605  0.00  0.00    +0.037 C 
ENDBRANCH   5   8
BRANCH   1  22
ATOM     18  C   LIG    1        6.651   0.115  -0.219  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1        5.503  -0.773  -0.052  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1        4.621  -0.712  -1.233  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.175  -1.177  -0.952  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        2.520  -0.329   0.071  0.00  0.00    -0.326 N 
ATOM     23  C   LIG    1        3.458   0.330   1.011  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        4.759  -0.485   1.191  0.00  0.00    +0.103 C 
ENDBRANCH   1  22
TORSDOF 2