REMARK  Name = BDB013717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.284  -0.147   0.106  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        2.166  -0.286  -1.083  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        3.527  -0.063  -0.915  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        4.401  -0.162  -2.007  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.908  -0.498  -3.268  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.546  -0.744  -3.436  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.048   0.256   0.423  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        5.246   0.494   0.563  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        3.124   0.252   1.460  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1        3.552   0.562   2.810  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        1.675  -0.643  -2.348  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1        1.774   0.094   1.290  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.085  -0.270  -0.066  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1       -0.433   0.109  -0.947  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -2.436   0.339   0.348  0.00  0.00    +0.076 C 
ATOM     16  C   LIG    1       -1.040   0.058   1.005  0.00  0.00    +0.089 C 
ATOM     17  C   LIG    1       -1.084  -1.052   2.072  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -2.358  -1.888   2.052  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -2.750  -2.229   0.628  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -3.046  -0.980  -0.202  0.00  0.00    +0.021 C 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.705   1.644  -1.310  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -2.376   1.373  -0.742  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -1.815   2.644  -0.259  0.00  0.00    +0.104 C 
ENDBRANCH  15  22
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 3