REMARK  Name = BDB013124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.597  -0.035  -0.349  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -1.690   0.560  -1.265  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.353   0.454  -0.973  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.289   1.166  -1.942  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.581   1.605  -2.824  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.136  -0.259   0.126  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.697  -0.829   0.956  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.835   1.220  -2.397  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -2.049  -0.696   0.695  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.919   0.692   0.409  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -4.068   0.012  -0.485  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -4.644  -0.678  -1.568  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -6.028  -0.699  -1.754  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.861  -0.026  -0.866  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.311   0.672   0.210  0.00  0.00    +0.013 A 
BRANCH  10  19
ATOM     16  N   LIG    1       -5.075   1.394   2.728  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -4.655   1.843   3.532  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -5.788   0.698   2.891  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -4.380   1.479   1.552  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1       -3.362   2.151   1.473  0.00  0.00    -0.270 OA
ENDBRANCH  10  19
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  N   LIG    1        1.491  -0.366   0.360  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        1.597  -0.736   1.306  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.307  -1.192  -0.529  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.721  -1.250  -0.027  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.515  -0.118   0.134  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.190   1.317  -0.054  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        5.599   1.906   0.014  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        6.459   0.988   0.727  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        5.819  -0.218   0.606  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.394  -1.428   0.937  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        5.625  -2.578   0.768  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        4.311  -2.482   0.289  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        3.605  -3.613   0.142  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5