REMARK  Name = BDB055876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.420   2.313   1.181  0.00  0.00    +0.215 C 
ATOM      2  C   LIG    1       -1.237   1.033   1.500  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1       -2.335   1.127   2.060  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.702  -0.190   1.054  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1        0.775  -0.258   1.004  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1        1.445   1.036   0.438  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1        0.997   2.167   1.206  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.384  -1.517   0.394  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        0.964  -2.041  -0.837  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        1.568  -3.179  -1.379  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        2.602  -3.807  -0.693  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        3.344  -5.210  -1.358  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.038  -3.306   0.530  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.435  -2.166   1.068  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        1.388   1.356  -1.051  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        2.509   1.954  -1.653  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        2.505   2.280  -3.010  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        3.899   2.996  -3.719  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        1.383   2.030  -3.792  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        0.256   1.456  -3.211  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.258   1.126  -1.852  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -0.791   3.401   2.190  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -1.910   5.295   1.218  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -1.987   4.182   1.719  0.00  0.00    +0.308 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -3.168   3.548   1.882  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -3.095   2.620   2.214  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -1.446  -1.384   1.472  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.668  -1.577   0.617  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -3.406  -2.893   0.651  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.656  -2.486  -0.587  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7