REMARK  Name = BDB062258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.686   0.840   0.248  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.394   2.021   0.099  0.00  0.00    +0.173 A 
ATOM      3  O   LIG    1       -3.709   1.716  -0.102  0.00  0.00    -0.354 OA
ATOM      4  N   LIG    1       -3.891   0.353  -0.111  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -2.683  -0.177   0.099  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -2.521  -1.627   0.134  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -2.593  -2.380  -1.060  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -2.440  -3.781  -0.994  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.215  -4.424   0.221  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.151  -3.681   1.395  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.308  -2.293   1.357  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -2.240  -1.455   2.873  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -2.866  -1.738  -2.403  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -2.138  -0.614  -2.635  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.173  -1.407  -2.578  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.566  -2.571  -3.445  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -1.888   3.495   0.134  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -2.742   4.571   0.002  0.00  0.00    +0.094 A 
ATOM     19  N   LIG    1       -1.998   5.719   0.071  0.00  0.00    -0.366 N 
ATOM     20  H   LIG    1       -2.366   6.659  -0.000  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1       -0.679   5.392   0.242  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1       -0.582   4.017   0.281  0.00  0.00    +0.030 A 
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  C   LIG    1       -0.241   0.628   0.517  0.00  0.00    +0.115 C 
BRANCH  23  24
ATOM     24  S   LIG    1        0.715   0.591  -1.035  0.00  0.00    -0.120 S 
BRANCH  24  28
ATOM     25  C   LIG    1        4.787  -0.862   0.507  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        4.225   0.309   1.029  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        2.985   0.762   0.566  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        2.292   0.044  -0.413  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        2.863  -1.118  -0.944  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        4.103  -1.574  -0.484  0.00  0.00    +0.016 A 
BRANCH  25  32
ATOM     31  O   LIG    1        6.756  -0.735   1.885  0.00  0.00    -0.245 OA
ATOM     32  C   LIG    1        6.104  -1.302   1.028  0.00  0.00    +0.337 C 
BRANCH  32  33
ATOM     33  O   LIG    1        6.542  -2.435   0.451  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        7.407  -2.600   0.882  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8