REMARK  Name = BDB058122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.513   0.037   0.552  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -3.850   0.793   1.695  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -4.956   1.286   1.894  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -2.755   0.942   2.621  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -1.491   0.428   2.432  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.699   0.792   3.540  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -1.514   1.520   4.387  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -1.217  -0.311   1.236  0.00  0.00    +0.008 A 
ATOM      9  N   LIG    1       -2.763   1.605   3.817  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -3.568   2.083   4.204  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -2.227  -0.479   0.347  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.086  -0.926   0.909  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        0.835  -0.477  -0.185  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        2.070  -1.065  -0.476  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.551  -2.126   0.298  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.810  -2.574   1.391  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        0.587  -1.973   1.698  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  C   LIG    1        2.821  -0.582  -1.656  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        4.128  -0.173  -1.481  0.00  0.00    -0.298 N 
ATOM     20  C   LIG    1        4.812   0.088  -0.221  0.00  0.00    +0.108 C 
ATOM     21  C   LIG    1        5.965   1.009  -0.599  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        6.280   0.593  -2.030  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        4.899   0.321  -2.608  0.00  0.00    +0.108 C 
ATOM     24  O   LIG    1        2.242  -0.551  -2.739  0.00  0.00    -0.270 OA
ENDBRANCH  14  18
ENDBRANCH   8  12
BRANCH   1  25
ATOM     25  C   LIG    1       -4.534  -0.160  -0.477  0.00  0.00    +0.129 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.568   1.003  -1.478  0.00  0.00    +0.048 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -6.435  -0.086  -2.841  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -5.555   0.898  -2.611  0.00  0.00    -0.033 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 5