REMARK  Name = BDB042461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.103  -0.976   0.969  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -3.395   0.164   0.539  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1       -2.248   1.061   0.796  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -1.447   0.578   2.028  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1       -0.978  -0.829   1.958  0.00  0.00    -0.299 NA
ATOM      6  C   LIG    1       -2.156  -1.681   1.671  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1       -3.010  -1.259   0.448  0.00  0.00    +0.122 C 
BRANCH   2  11
ATOM      8  C   LIG    1       -5.823   1.451  -2.617  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -4.583   2.002  -2.346  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -3.779   1.597  -1.333  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1       -4.199   0.591  -0.533  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -5.448  -0.001  -0.740  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -6.264   0.426  -1.790  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  N   LIG    1       -7.253   2.317  -4.591  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1       -6.613   1.930  -3.704  0.00  0.00    +0.101 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        0.877  -2.290   1.154  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.001  -2.471   0.124  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.075  -1.413   0.178  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.861  -1.376   1.307  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        3.701  -2.036   2.061  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.894  -0.489   1.531  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        5.541  -0.534   2.570  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.157   0.494   0.454  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        4.359   0.455  -0.702  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1        4.591   1.375  -1.733  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.608   2.325  -1.612  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.396   2.359  -0.462  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.169   1.445   0.566  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1        6.951   1.516   1.651  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        3.293  -0.544  -0.821  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6