REMARK  Name = BDB053070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.818   0.497   3.444  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.411  -0.066   2.446  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.389   0.400   1.146  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.197  -0.561   0.217  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.566  -1.710   1.130  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.175  -2.924   0.845  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -1.394  -3.816   1.900  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.008  -3.492   3.214  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.396  -2.269   3.495  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.189  -1.405   2.437  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.801  -1.016  -0.862  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.058  -1.551  -0.507  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.975  -1.952  -1.482  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.649  -1.833  -2.828  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        3.780  -2.317  -4.030  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.412  -1.323  -3.208  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.495  -0.919  -2.233  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        0.834   1.725   0.755  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.273   1.763   0.299  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.316   1.564   1.217  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.646   1.568   0.791  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.941   1.773  -0.554  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        6.579   1.765  -1.081  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        3.919   1.982  -1.476  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        2.589   1.982  -1.050  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  26
ATOM     26  O   LIG    1       -1.341   0.025  -0.413  0.00  0.00    -0.347 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.429   0.406   0.427  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.487   1.157  -0.373  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -3.773   0.720  -1.800  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -3.046   2.014  -1.551  0.00  0.00    +0.012 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -4.634   1.621   0.505  0.00  0.00    +0.165 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.720   2.142  -0.249  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -5.414   2.966  -0.661  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8