REMARK  Name = BDB046851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.609  -1.490   2.043  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1  12
ATOM      2  O   LIG    1       -4.967   2.589   1.880  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1       -4.705   1.526   1.330  0.00  0.00    +0.259 A 
ATOM      4  C   LIG    1       -5.283   1.159   0.026  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -4.928  -0.081  -0.517  0.00  0.00    +0.096 A 
ATOM      6  C   LIG    1       -5.477  -0.427  -1.763  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1       -6.348   0.437  -2.434  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -6.681   1.663  -1.863  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1       -7.752   2.725  -2.689  0.00  0.00    -0.083 Cl
ATOM     10 CL   LIG    1       -5.095  -1.936  -2.519  0.00  0.00    -0.081 Cl
ATOM     11  N   LIG    1       -4.051  -0.957   0.156  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -3.567  -0.593   1.297  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -6.153   2.035  -0.632  0.00  0.00    +0.035 A 
ATOM     14  N   LIG    1       -3.860   0.604   1.888  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.457   0.859   2.779  0.00  0.00    +0.170 HD
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  C   LIG    1       -1.170  -0.979   1.973  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.590  -1.064   0.552  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.765  -0.496   0.465  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.175  -0.368  -0.944  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        2.513   0.382  -1.062  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        3.559  -0.167  -0.124  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.184  -0.942   0.910  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        1.753  -1.298   1.207  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.975   0.175  -0.372  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        5.980  -0.800  -0.285  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        7.317  -0.478  -0.537  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        7.667   0.825  -0.883  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.681   1.804  -0.979  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.345   1.480  -0.728  0.00  0.00    +0.008 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5