REMARK  Name = BDB013718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.117  -0.496   0.124  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        2.402   0.109  -0.337  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        3.187   0.773   0.597  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        4.391   1.381   0.210  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        4.815   1.307  -1.116  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        4.045   0.621  -2.052  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.761   0.810   2.004  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        3.432   1.435   2.822  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        1.611   0.099   2.313  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1        1.119   0.085   3.677  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        2.844   0.019  -1.666  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1        0.797  -0.493   1.385  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.285  -1.054  -0.836  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        0.297  -0.495  -1.690  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -2.082  -0.228  -0.745  0.00  0.00    +0.076 C 
ATOM     16  C   LIG    1       -1.120  -1.462  -0.644  0.00  0.00    +0.089 C 
ATOM     17  C   LIG    1       -1.368  -2.392   0.551  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -2.572  -1.970   1.383  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -2.501  -0.505   1.790  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -2.212   0.459   0.633  0.00  0.00    +0.021 C 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.285   2.013  -1.786  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -1.671   0.684  -1.869  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -2.002   0.096  -3.176  0.00  0.00    +0.104 C 
ENDBRANCH  15  22
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 3