REMARK  Name = BDB013053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.626   0.372   0.268  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.229  -0.843  -0.064  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.589  -1.003  -0.170  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        2.852  -2.248  -0.511  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.656  -2.926  -0.592  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.405   0.132   0.100  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.744   1.256   0.460  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.697  -2.076  -0.301  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.373   1.407   0.544  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.880   0.127   0.056  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        5.635  -0.946   0.502  0.00  0.00    +0.122 A 
ATOM     12  N   LIG    1        6.986  -0.990   0.483  0.00  0.00    -0.243 NA
ATOM     13  C   LIG    1        7.598   0.088  -0.028  0.00  0.00    +0.221 A 
ATOM     14  N   LIG    1        6.988   1.181  -0.509  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        5.638   1.167  -0.460  0.00  0.00    +0.122 A 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.744   0.488   0.333  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -0.956   1.369   0.803  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.522   0.450  -0.903  0.00  0.00    +0.140 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -4.821   2.374  -0.634  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.666   1.436  -0.043  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -5.138   0.203   0.274  0.00  0.00    +0.124 A 
ATOM     22  O   LIG    1       -5.856  -0.810   0.855  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -4.843  -1.758   1.258  0.00  0.00    +0.234 C 
ATOM     24  C   LIG    1       -3.588  -1.535   0.413  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -3.815  -0.127   0.009  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.957   0.784  -0.599  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -3.479   2.054  -0.905  0.00  0.00    +0.005 A 
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4