REMARK  Name = BDB013689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.094   0.353  -0.518  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -2.228   1.181  -0.025  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -3.395   0.525   0.350  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.489   1.251   0.844  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.417   2.639   0.948  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.258   3.303   0.551  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.487  -0.936   0.201  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -4.504  -1.517   0.574  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -2.393  -1.563  -0.378  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1       -2.392  -3.004  -0.546  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -2.166   2.579   0.061  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1       -1.218  -0.933  -0.688  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.119   0.961  -0.795  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        0.317   1.834  -0.325  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.320   0.194  -1.125  0.00  0.00    +0.121 C 
BRANCH  15  18
ATOM     16  C   LIG    1        3.349  -1.906  -1.367  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1        3.194  -1.263  -0.076  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1        1.962  -0.469   0.124  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        2.372   0.587   1.171  0.00  0.00    +0.021 C 
ATOM     20  C   LIG    1        3.806   0.248   1.546  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        4.332  -0.435   0.302  0.00  0.00    +0.084 C 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 3