REMARK  Name = BDB006884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.070  -0.455  -1.020  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.368  -0.183  -0.618  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        2.042  -0.364   0.604  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        3.342   0.134   0.508  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        4.210   0.067   1.591  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        3.731  -0.521   2.749  0.00  0.00    +0.215 A 
ATOM      7  N   LIG    1        2.481  -1.028   2.877  0.00  0.00    -0.219 NA
ATOM      8  C   LIG    1        3.612   0.738  -0.849  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1        4.862   0.155  -1.512  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        3.719   2.264  -0.749  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.661  -0.944   1.798  0.00  0.00    +0.138 A 
ATOM     12  C   LIG    1        2.333   0.322  -1.610  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.233  -0.345  -2.213  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   6  14
ATOM     14  O   LIG    1        4.609  -0.575   3.812  0.00  0.00    -0.480 OA
ATOM     15  C   LIG    1        4.054  -1.198   4.965  0.00  0.00    +0.279 C 
ENDBRANCH   6  14
BRANCH   1  16
ATOM     16  C   LIG    1       -0.958  -0.857   0.043  0.00  0.00    +0.181 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -3.063   0.477  -0.391  0.00  0.00    +0.097 C 
ATOM     18  N   LIG    1       -2.371  -0.834  -0.357  0.00  0.00    -0.286 NA
ATOM     19  C   LIG    1       -2.734  -1.687  -1.494  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -4.266  -1.996  -1.504  0.00  0.00    +0.065 C 
ATOM     21  C   LIG    1       -4.552  -3.342  -0.832  0.00  0.00    +0.025 C 
ATOM     22  N   LIG    1       -5.094  -0.964  -0.830  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -5.036  -1.143   0.174  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.481   0.363  -1.046  0.00  0.00    +0.102 C 
BRANCH  17  25
ATOM     25  C   LIG    1       -2.310   1.671  -1.030  0.00  0.00    +0.179 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -2.978   3.536   0.298  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -3.058   2.892  -0.967  0.00  0.00    -0.381 OA
ENDBRANCH  25  27
ENDBRANCH  17  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5