REMARK  Name = BDB028592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.236  -0.228   1.324  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.306  -0.448   0.118  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.453  -0.207  -0.623  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.612   0.310   0.112  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -4.848   0.548  -0.778  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -4.992  -0.589  -1.801  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -3.730  -0.760  -2.656  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.498  -0.068  -2.076  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.257  -0.963  -0.601  0.00  0.00    -0.299 N 
ATOM     10  H   LIG    1       -0.551  -1.628  -1.298  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.112   0.761   0.037  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -6.757   2.007   0.011  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -7.918   2.225   0.756  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.449   1.202   1.536  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.820  -0.040   1.574  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.659  -0.259   0.830  0.00  0.00    +0.004 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.996  -1.291   0.060  0.00  0.00    +0.107 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.834  -0.048   0.355  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.119  -0.376   1.126  0.00  0.00    +0.086 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.997  -1.333   0.433  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        4.707  -0.738  -0.717  0.00  0.00    +0.119 C 
ATOM     22  C   LIG    1        5.885   0.146  -0.361  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        6.538   0.017   0.878  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        7.648   0.822   1.168  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        8.123   1.733   0.224  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.490   1.849  -1.011  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.006  -0.935   1.920  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        6.380   1.058  -1.305  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.988  -1.932   1.346  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 5