REMARK  Name = BDB006733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.780   2.723   0.944  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -2.998   2.446  -0.278  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.818   1.785  -0.504  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.714   1.059   0.156  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.188   0.734  -0.991  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.351   1.206  -2.233  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.118   1.133  -3.358  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.594   1.856  -1.873  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1       -2.548   2.515  -2.527  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -3.406   2.851  -1.534  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -4.247   3.363  -1.784  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.413   0.079  -0.845  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        2.161  -0.338  -1.885  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.370  -0.999  -1.728  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        4.084  -1.415  -2.927  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        3.907  -1.297  -0.481  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1        4.965  -1.895  -0.302  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        3.105  -0.831   0.692  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        3.672  -1.116   2.046  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1        1.943  -0.187   0.487  0.00  0.00    +0.033 A 
ENDBRANCH   5  12
BRANCH   4  21
ATOM     21  C   LIG    1       -1.352  -0.117   0.861  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -1.802  -1.258   0.180  0.00  0.00    +0.130 A 
ATOM     23  F   LIG    1       -1.679  -1.343  -1.151  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -2.390  -2.327   0.850  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1       -2.544  -2.266   2.229  0.00  0.00    +0.044 A 
ATOM     26 CL   LIG    1       -3.272  -3.577   3.070  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -2.116  -1.144   2.937  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.525  -0.075   2.257  0.00  0.00    +0.010 A 
ENDBRANCH   4  21
TORSDOF 2