REMARK  Name = BDB055871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.556   1.793   1.358  0.00  0.00    +0.215 C 
ATOM      2  C   LIG    1       -1.866   0.300   1.583  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1       -2.855  -0.061   2.221  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.915  -0.603   1.098  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1        0.047  -0.192   0.044  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1        0.290   1.350  -0.021  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1       -0.958   2.051   0.087  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.384  -0.917   0.185  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        1.963  -1.552  -0.927  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        3.199  -2.191  -0.816  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        3.868  -2.201   0.406  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        5.390  -2.990   0.541  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.312  -1.574   1.518  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.076  -0.932   1.409  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        0.943   1.785  -1.324  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        2.320   2.057  -1.366  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        2.930   2.422  -2.566  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.621   2.740  -2.600  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        2.184   2.526  -3.737  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        0.816   2.262  -3.709  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.200   1.892  -2.512  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -2.832   2.628   1.433  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -4.567   2.963   3.089  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -3.394   2.758   2.819  0.00  0.00    +0.308 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -2.474   2.734   3.800  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -3.013   2.830   4.615  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -1.233  -2.027   1.235  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.133  -2.494   0.128  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -2.329  -3.972  -0.100  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -1.583  -3.151  -1.113  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7