REMARK  Name = BDB046348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.638   1.460  -1.201  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -0.725   0.242  -1.025  0.00  0.00    +0.230 C 
ATOM      3  N   LIG    1       -1.978  -0.368  -0.869  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -3.137   0.515  -1.003  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -4.428  -0.123  -0.547  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1       -4.506  -1.413  -0.164  0.00  0.00    +0.026 A 
ATOM      7  N   LIG    1       -5.687  -1.962   0.272  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -5.725  -2.932   0.565  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -6.881  -1.289   0.366  0.00  0.00    +0.257 A 
ATOM     10  C   LIG    1       -6.865   0.131  -0.054  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -8.053   0.874   0.003  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -8.055   2.208  -0.395  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.876   2.793  -0.849  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.691   2.050  -0.905  0.00  0.00    +0.009 A 
ATOM     15  O   LIG    1       -7.899  -1.841   0.770  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.316  -2.329  -0.202  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1       -5.662   0.704  -0.506  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1       -2.216  -1.788  -1.112  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1        0.506  -0.688  -0.949  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.794   0.035  -0.847  0.00  0.00    -0.294 NA
ATOM     21  C   LIG    1        2.939  -0.869  -1.033  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        3.524  -1.389   0.276  0.00  0.00    +0.034 C 
ATOM     23  C   LIG    1        4.012  -0.241   1.185  0.00  0.00    +0.059 C 
ATOM     24  C   LIG    1        3.319   1.089   0.829  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        1.877   0.835   0.388  0.00  0.00    +0.086 C 
BRANCH  23  26
ATOM     26  N   LIG    1        5.479  -0.198   1.279  0.00  0.00    -0.299 NA
ATOM     27  C   LIG    1        6.000   0.746   2.266  0.00  0.00    +0.085 C 
ATOM     28  C   LIG    1        7.497   0.701   2.007  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1        7.632   0.331   0.534  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        6.209   0.088   0.046  0.00  0.00    +0.085 C 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 3