REMARK  Name = BDB046847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.744   0.538  -0.145  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1  11
ATOM      2  O   LIG    1        5.731   3.026  -0.213  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1        5.209   1.924  -0.328  0.00  0.00    +0.259 A 
ATOM      4  C   LIG    1        5.992   0.712  -0.617  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1        5.292  -0.493  -0.728  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        6.008  -1.659  -1.001  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        7.397  -1.618  -1.161  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        8.075  -0.403  -1.046  0.00  0.00    +0.042 A 
ATOM      9 CL   LIG    1        9.783  -0.359  -1.244  0.00  0.00    -0.084 Cl
ATOM     10  N   LIG    1        3.898  -0.574  -0.574  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1        3.249   0.513  -0.309  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1        7.380   0.771  -0.774  0.00  0.00    +0.035 A 
ATOM     13  N   LIG    1        3.857   1.737  -0.197  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        3.319   2.567   0.011  0.00  0.00    +0.170 HD
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  C   LIG    1        1.138  -0.842   0.093  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.394  -0.853   0.164  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -0.889  -0.038   1.286  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -1.877  -0.765   2.105  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1       -3.196  -1.075   1.371  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.707   0.112   0.590  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1       -2.899   1.164   0.360  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -1.474   1.237   0.837  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.098   0.078   0.095  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -5.939   1.194   0.229  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -7.260   1.156  -0.224  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -7.761  -0.001  -0.816  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.943  -1.119  -0.951  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.621  -1.081  -0.496  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5