REMARK  Name = BDB055868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.857   1.227   2.016  0.00  0.00    +0.215 C 
ATOM      2  C   LIG    1       -1.524  -0.170   1.876  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1       -2.357  -0.555   2.696  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.151  -0.936   0.780  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.156  -0.460  -0.194  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1       -0.126   1.095  -0.239  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1        0.136   1.620   1.070  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.205  -1.117   0.035  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        1.877  -1.707  -1.052  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        3.131  -2.300  -0.882  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        3.726  -2.311   0.376  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        5.269  -3.041   0.586  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.078  -1.734   1.464  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.825  -1.140   1.294  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        0.858   1.661  -1.246  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        2.154   2.052  -0.869  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        3.051   2.534  -1.821  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.638   2.998  -1.343  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        2.675   2.638  -3.158  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        1.392   2.256  -3.547  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.490   1.769  -2.598  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.946   2.301   2.084  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -1.499   4.492   3.024  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -1.654   3.291   3.171  0.00  0.00    +0.308 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -1.629   2.744   4.399  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -1.473   3.504   5.000  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -1.741  -2.255   0.587  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.945  -2.152  -0.300  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -3.488  -3.389  -0.971  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.839  -2.314  -1.797  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7