REMARK  Name = BDB013680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.201  -0.335   0.025  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1       -0.378   0.484   0.173  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.568  -0.141   0.007  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        2.147   1.012   0.748  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.513   1.237   0.634  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        4.111   2.320   1.294  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.337   3.172   2.080  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.970   2.938   2.215  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.336   0.317  -0.169  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        5.537   0.542  -0.301  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        3.677  -0.774  -0.721  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        4.411  -1.724  -1.534  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        1.373   1.860   1.555  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        2.322  -0.967  -0.662  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.445  -1.343  -0.820  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.005  -1.384  -0.654  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.705  -0.031  -0.915  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1       -3.937   0.278  -0.306  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.592   1.487  -0.558  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.041   2.408  -1.442  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.842   2.113  -2.084  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.188   0.903  -1.832  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     23  C   LIG    1       -2.360  -3.499   0.537  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1       -2.493  -2.044   0.594  0.00  0.00    -0.300 NA
ATOM     25  C   LIG    1       -1.895  -1.531   1.825  0.00  0.00    +0.105 C 
ENDBRANCH  16  24
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5