REMARK  Name = BDB055892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.382  -2.787   2.484  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.608  -1.877   1.656  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.204  -0.572   1.321  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.114   0.422   0.829  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.594  -0.133  -0.286  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.236  -1.369   0.030  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1        0.474  -2.373   0.937  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        0.855  -3.540   1.039  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.403  -0.718   0.384  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -3.644  -0.174   0.762  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -4.757  -0.277  -0.076  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.643  -0.927  -1.301  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -6.013  -1.054  -2.333  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.425  -1.474  -1.694  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.311  -1.369  -0.857  0.00  0.00    +0.007 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.648   1.804   0.487  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.898   2.728   1.516  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.413   3.994   1.225  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -1.684   4.346  -0.095  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -2.322   5.904  -0.450  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -1.443   3.444  -1.127  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.926   2.179  -0.837  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.635  -1.128   0.631  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.630  -0.632  -0.394  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.523  -1.524  -1.004  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.434  -1.071  -1.958  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.459   0.276  -2.316  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.572   1.170  -1.721  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.660   0.719  -0.765  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4