REMARK  Name = BDB012479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.629   4.166   1.784  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.259   3.299   0.996  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -1.129   2.938  -0.141  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -2.072   1.918   0.054  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.857   1.457  -1.010  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -2.735   2.114  -2.248  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.835   3.173  -2.422  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.872   0.338  -0.856  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1       -3.581  -0.738   0.100  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1       -2.266  -1.014   0.399  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1       -1.995  -1.986   1.213  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1       -3.018  -2.868   1.809  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.283  -2.634   1.455  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -0.572  -2.195   1.612  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        0.256  -1.064   1.643  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        1.622  -1.152   1.956  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1        2.141  -2.409   2.287  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        1.322  -3.543   2.270  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.498   0.083   1.933  0.00  0.00    +0.160 C 
ATOM     20  N   LIG    1        2.413   0.775   0.653  0.00  0.00    -0.307 N 
ATOM     21  C   LIG    1        1.557   1.813   0.333  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1        1.554   2.022  -0.963  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        2.469   1.154  -1.497  0.00  0.00    +0.094 A 
ATOM     24  C   LIG    1        2.860   0.985  -2.832  0.00  0.00    +0.075 A 
ATOM     25  C   LIG    1        3.820   0.015  -3.120  0.00  0.00    +0.119 A 
ATOM     26  C   LIG    1        4.384  -0.776  -2.121  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        3.999  -0.620  -0.784  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        3.041   0.364  -0.506  0.00  0.00    +0.071 A 
ATOM     29  C   LIG    1       -0.030  -3.442   1.925  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1       -4.634  -1.538   0.525  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -5.809  -1.394   0.198  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1       -1.026   3.590  -1.367  0.00  0.00    +0.013 A 
ATOM     33  N   LIG    1        0.841   2.517   1.273  0.00  0.00    -0.252 N 
ATOM     34  H   LIG    1        1.207   2.619   2.207  0.00  0.00    +0.158 HD
ENDROOT
BRANCH  25  35
ATOM     35  O   LIG    1        4.189  -0.134  -4.427  0.00  0.00    -0.507 OA
ATOM     36  H   LIG    1        4.844  -0.847  -4.489  0.00  0.00    +0.292 HD
ENDBRANCH  25  35
TORSDOF 1