REMARK  Name = BDB016230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.306  -1.902   1.794  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1       -3.453  -0.616   0.971  0.00  0.00    -0.001 C 
ATOM      3  C   LIG    1       -2.104  -0.236   0.367  0.00  0.00    +0.041 C 
ATOM      4  C   LIG    1       -2.054   0.904  -0.632  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -3.063   1.869  -0.821  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.922   2.820  -1.854  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -1.794   2.869  -2.665  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.772   1.961  -2.454  0.00  0.00    +0.009 A 
ATOM      9  N   LIG    1       -4.251   2.034  -0.086  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -4.895   2.739  -0.428  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.731   1.512   1.067  0.00  0.00    +0.217 C 
ATOM     12  O   LIG    1       -5.820   1.920   1.481  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.876   0.982  -1.450  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -3.944   0.515   1.857  0.00  0.00    +0.099 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        0.268   0.064  -1.289  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1        1.216   0.285  -0.273  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.304  -0.596  -0.131  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.419  -0.714   0.731  0.00  0.00    +0.074 A 
ATOM     19  N   LIG    1        4.185  -1.769   0.453  0.00  0.00    -0.175 NA
ATOM     20  N   LIG    1        3.572  -2.325  -0.610  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1        4.130  -3.515  -1.207  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1        2.430  -1.671  -1.007  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        1.510  -1.915  -2.033  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        0.433  -1.028  -2.156  0.00  0.00    +0.010 A 
BRANCH  18  25
ATOM     25  C   LIG    1        3.723   0.257   1.905  0.00  0.00    +0.040 C 
ATOM     26  C   LIG    1        4.119   1.679   1.601  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        5.140   0.718   2.133  0.00  0.00    +0.010 C 
ENDBRANCH  18  25
ENDBRANCH  13  15
TORSDOF 2