REMARK  Name = BDB053131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.052   1.435   2.546  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.052   1.405   1.855  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.957   1.272   0.485  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.425   1.306   0.005  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -1.198   1.500   1.296  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.558   1.681   1.517  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.001   1.862   2.832  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.091   1.879   3.905  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.724   1.723   3.678  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.312   1.542   2.371  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.659   2.502  -0.942  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.379   2.351  -2.143  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.606   3.440  -2.990  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.123   4.699  -2.646  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -1.406   6.037  -3.688  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -0.415   4.880  -1.462  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -0.187   3.791  -0.615  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        2.110   1.130  -0.388  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.525  -0.309  -0.582  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.240  -0.982   0.421  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        3.550  -2.337   0.288  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        3.142  -3.024  -0.861  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        2.456  -2.360  -1.885  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        2.152  -1.005  -1.742  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        3.409  -4.461  -0.981  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        4.141  -4.988  -0.130  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        2.895  -5.068  -1.933  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  28
ATOM     28  O   LIG    1       -0.655   0.096  -0.721  0.00  0.00    -0.344 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -1.382  -0.972  -0.139  0.00  0.00    +0.124 C 
ATOM     30  C   LIG    1       -0.667  -1.729   0.986  0.00  0.00    +0.063 C 
ATOM     31  C   LIG    1       -0.971  -3.216   0.764  0.00  0.00    +0.117 C 
ATOM     32  C   LIG    1       -1.956  -3.276  -0.397  0.00  0.00    +0.034 C 
ATOM     33  C   LIG    1       -1.613  -2.039  -1.209  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     34  O   LIG    1        0.232  -3.891   0.410  0.00  0.00    -0.392 OA
ATOM     35  H   LIG    1        0.013  -4.830   0.273  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7