REMARK  Name = BDB058473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.836   0.559   0.170  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.467   0.228   0.590  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.070  -0.890   0.047  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.335  -1.455   0.290  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.445  -2.654  -0.457  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.260  -2.754  -1.216  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -0.930  -3.829  -2.105  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.368  -3.452  -0.441  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.419  -1.685  -0.894  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.844  -1.381  -1.349  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.460  -0.241  -0.816  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.437   1.727   0.689  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.905   2.150   1.443  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        5.061   1.467   0.650  0.00  0.00    +0.219 A 
ATOM     15  N   LIG    1        3.761   1.138   0.543  0.00  0.00    -0.198 NA
ATOM     16  C   LIG    1        2.812   2.057   0.820  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        3.159   3.344   1.206  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        2.006   4.560   1.591  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        4.503   3.606   1.289  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1        5.458   2.695   1.021  0.00  0.00    -0.221 NA
BRANCH  14  22
ATOM     21  C   LIG    1        5.558  -0.866   0.424  0.00  0.00    +0.132 C 
ATOM     22  N   LIG    1        6.026   0.509   0.340  0.00  0.00    -0.306 N 
ATOM     23  C   LIG    1        7.349   0.785   0.875  0.00  0.00    +0.132 C 
ENDBRANCH  14  22
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1       -3.299  -0.989   1.262  0.00  0.00    +0.130 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.931   0.370   0.919  0.00  0.00    +0.056 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.268   0.316   0.155  0.00  0.00    +0.062 C 
ATOM     27  C   LIG    1       -5.183  -0.464  -1.155  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.755   1.742  -0.133  0.00  0.00    +0.041 C 
BRANCH  26  29
ATOM     29  O   LIG    1       -6.247  -0.324   0.977  0.00  0.00    -0.389 OA
ATOM     30  H   LIG    1       -6.446   0.257   1.731  0.00  0.00    +0.210 HD
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7