REMARK  Name = BDB023325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.027  -0.208  -0.122  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1        1.901   0.567  -0.462  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        0.669  -0.079  -0.572  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1        0.485  -1.436  -0.375  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -0.899  -1.677  -0.584  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -1.483  -0.458  -0.893  0.00  0.00    +0.192 A 
ATOM      7  C   LIG    1        1.609  -2.200  -0.048  0.00  0.00    +0.136 A 
ATOM      8  F   LIG    1        1.499  -3.521   0.152  0.00  0.00    -0.205 F 
ATOM      9  O   LIG    1       -0.512   0.514  -0.885  0.00  0.00    -0.450 OA
ATOM     10  C   LIG    1        2.862  -1.587   0.072  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        5.364  -0.386   2.086  0.00  0.00    +0.031 C 
ATOM     12  C   LIG    1        5.523  -0.006   0.618  0.00  0.00    +0.031 C 
ATOM     13  N   LIG    1        4.293   0.409  -0.012  0.00  0.00    -0.324 N 
ATOM     14  C   LIG    1        4.568   1.810   0.142  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1        6.026   1.439   0.398  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        6.298  -1.028  -0.203  0.00  0.00    +0.031 C 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -2.839  -0.046  -1.206  0.00  0.00    +0.298 C 
ATOM     18  N   LIG    1       -3.775  -1.079  -1.079  0.00  0.00    -0.179 N 
ATOM     19  H   LIG    1       -3.527  -2.001  -0.745  0.00  0.00    +0.177 HD
ATOM     20  O   LIG    1       -3.156   1.089  -1.526  0.00  0.00    -0.265 OA
BRANCH  18  21
ATOM     21  S   LIG    1       -5.384  -0.941  -1.449  0.00  0.00    +0.075 S 
ATOM     22  O   LIG    1       -5.950  -2.236  -1.126  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -5.526  -0.385  -2.774  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.990   0.215  -0.249  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -6.118   1.565  -0.589  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -6.620   2.465   0.351  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.005   2.015   1.615  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.893   0.663   1.944  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.389  -0.243   1.010  0.00  0.00    +0.029 A 
ENDBRANCH  21  24
ENDBRANCH  18  21
ENDBRANCH   6  17
TORSDOF 4