REMARK  Name = BDB028541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.053  -1.572   0.504  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.614  -0.626  -0.043  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.871  -0.712  -0.576  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.697   0.374  -1.094  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -5.123  -0.196  -1.169  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -4.867  -1.698  -1.347  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -3.616  -1.957  -0.520  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1       -1.017   0.596  -0.164  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -1.322   1.155  -0.945  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -6.020   0.085   0.026  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -5.531   0.261   1.329  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.403   0.502   2.394  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -7.776   0.566   2.174  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.280   0.384   0.889  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.409   0.142  -0.175  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1        0.324   0.862   0.349  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.436   0.148  -0.453  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.562  -1.208  -0.001  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.655  -1.550   0.167  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.791   0.877  -0.259  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.800   0.605  -1.309  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        5.010   1.429  -1.115  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        5.950   0.948  -0.029  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.936  -0.393   0.398  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.839  -0.821   1.379  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.768   0.069   1.918  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.799   1.392   1.483  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.909  -1.354  -0.151  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.897   1.830   0.512  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.203  -0.810  -1.403  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 6