REMARK  Name = BDB053130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.170  -1.921   2.728  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.545  -1.061   2.138  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.382  -0.904   0.775  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.445   0.252   0.440  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.804   0.800   1.806  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.562   1.905   2.163  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -1.715   2.192   3.524  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.111   1.385   4.506  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.340   0.280   4.143  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.203   0.018   2.793  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.329   1.300  -0.381  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.149   1.758  -1.624  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.567   2.701  -2.369  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.769   3.204  -1.881  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        2.653   4.354  -2.805  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        2.259   2.780  -0.651  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.544   1.839   0.094  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        0.921  -1.822  -0.210  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.264  -1.396  -0.755  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.403  -1.412   0.066  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        4.641  -0.989  -0.423  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.743  -0.548  -1.748  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.621  -0.536  -2.584  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        2.387  -0.963  -2.085  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        6.039  -0.094  -2.265  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        6.118   0.167  -3.474  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        6.979   0.002  -1.463  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  28
ATOM     28  O   LIG    1       -1.583  -0.192  -0.312  0.00  0.00    -0.344 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -2.513  -1.072   0.322  0.00  0.00    +0.124 C 
ATOM     30  C   LIG    1       -2.982  -2.091  -0.722  0.00  0.00    +0.063 C 
ATOM     31  C   LIG    1       -4.274  -1.505  -1.268  0.00  0.00    +0.117 C 
ATOM     32  C   LIG    1       -4.930  -0.938  -0.022  0.00  0.00    +0.034 C 
ATOM     33  C   LIG    1       -3.773  -0.291   0.728  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -5.090  -2.496  -1.859  0.00  0.00    -0.392 OA
ATOM     35  H   LIG    1       -4.609  -2.854  -2.625  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7