REMARK  Name = BDB030753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.430  -3.163   0.551  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.069  -2.026  -0.410  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1       -2.289  -1.038   0.329  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -1.577  -1.453   0.920  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.982   0.248  -0.121  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1       -0.543   0.649  -0.083  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.174   1.982  -0.321  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -1.165   2.929  -0.691  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1       -2.487   2.562  -0.889  0.00  0.00    +0.295 A 
ATOM     10  O   LIG    1       -3.332   3.348  -1.326  0.00  0.00    -0.264 OA
ATOM     11  C   LIG    1       -0.792   4.308  -0.971  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        1.180   2.349  -0.232  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        2.172   1.406   0.048  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.843   0.070   0.239  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.488  -0.290   0.157  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -2.903   1.159  -0.524  0.00  0.00    +0.207 A 
ATOM     17  O   LIG    1       -4.271   0.965  -0.612  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1       -4.864  -0.266  -0.219  0.00  0.00    +0.231 C 
ATOM     19  C   LIG    1       -4.327  -1.427  -1.039  0.00  0.00    +0.063 C 
ENDROOT
BRANCH  14  20
ATOM     20  N   LIG    1        2.796  -0.943   0.455  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.489  -1.626   1.147  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.193  -0.981   0.233  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        5.035  -1.714   1.089  0.00  0.00    +0.099 A 
ATOM     24 CL   LIG    1        4.356  -2.589   2.422  0.00  0.00    -0.078 Cl
ATOM     25  C   LIG    1        6.403  -1.706   0.827  0.00  0.00    +0.149 A 
ATOM     26 CL   LIG    1        7.552  -2.551   1.793  0.00  0.00    -0.060 Cl
ATOM     27  N   LIG    1        6.979  -1.044  -0.203  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        6.151  -0.362  -1.017  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        4.777  -0.303  -0.842  0.00  0.00    +0.044 A 
ENDBRANCH  20  22
ENDBRANCH  14  20
TORSDOF 2