REMARK  Name = BDB057250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.359   0.271   1.070  0.00  0.00    +0.012 A 
ATOM      2  C   LIG    1       -0.668   1.596   1.401  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -1.983   1.969   1.675  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -3.009   1.026   1.575  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.738  -0.299   1.210  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.406  -0.665   0.962  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.839  -1.249   1.105  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -5.157  -0.905   1.401  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -5.833  -2.000   1.183  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -7.241  -2.432   1.255  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -7.198  -3.759   0.454  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -5.735  -4.241   0.505  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -5.024  -3.011   0.773  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -3.753  -2.578   0.703  0.00  0.00    +0.115 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  C   LIG    1        1.053  -0.153   0.778  0.00  0.00    +0.143 C 
BRANCH  15  18
ATOM     16  O   LIG    1        2.599  -0.196  -2.479  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        2.552  -0.167  -1.250  0.00  0.00    +0.218 C 
ATOM     18  N   LIG    1        1.330  -0.104  -0.642  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.548  -0.118  -1.287  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1        3.782  -0.183  -0.354  0.00  0.00    +0.131 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.087  -0.339  -1.101  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1        5.631  -1.612  -1.327  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        6.830  -1.760  -2.033  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        7.437  -3.362  -2.258  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        7.492  -0.631  -2.526  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        8.977  -0.735  -3.403  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        6.950   0.639  -2.313  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        5.753   0.785  -1.607  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   2  29
ATOM     29  O   LIG    1        0.362   2.499   1.500  0.00  0.00    -0.488 OA
BRANCH  29  30
ATOM     30  C   LIG    1        0.230   3.713   0.719  0.00  0.00    +0.173 C 
ATOM     31  C   LIG    1        1.528   4.554   0.618  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        1.810   3.855  -0.724  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        0.300   3.578  -0.825  0.00  0.00    +0.044 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 7