REMARK  Name = BDB055767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.834   1.360   0.067  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.547   1.576   0.305  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.026   2.859   0.577  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.136   3.941   0.614  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        1.229   3.734   0.379  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        1.710   2.452   0.108  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.907  -2.867  -1.347  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        3.748  -1.642  -0.567  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        3.419  -0.482  -1.423  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        1.916  -0.133  -1.524  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1        1.276   0.038  -0.195  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        2.055  -0.522   0.937  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        2.741  -1.835   0.502  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1       -1.359   0.424   0.238  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -0.819  -0.405  -0.003  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -2.717   0.315   0.420  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -3.488   1.223   0.710  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -3.271  -1.063   0.321  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1       -2.899  -2.006  -0.647  0.00  0.00    +0.053 A 
ATOM     20 CL   LIG    1       -1.770  -1.678  -1.913  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.481  -3.281  -0.638  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -4.436  -3.618   0.322  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.823  -2.681   1.275  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.247  -1.409   1.273  0.00  0.00    +0.014 A 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  25
ATOM     25  C   LIG    1       -0.589   5.325   0.896  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        0.126   6.310   0.938  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -1.911   5.413   1.115  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -2.068   6.365   1.284  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 5