REMARK  Name = BDB002485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.177   0.073   1.095  0.00  0.00    +0.177 A 
ATOM      2  N   LIG    1       -1.385  -0.237   0.479  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -2.157   0.776  -0.101  0.00  0.00    +0.267 A 
ATOM      4  O   LIG    1       -3.264   0.615  -0.615  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -1.611   2.143  -0.032  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -0.408   2.328   0.641  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1        0.129   3.615   0.723  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.535   4.700   0.146  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.744   4.505  -0.521  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.286   3.224  -0.612  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1        0.299   1.268   1.210  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -1.936  -1.554   0.452  0.00  0.00    +0.087 A 
ATOM     13  C   LIG    1       -2.238  -2.167  -0.775  0.00  0.00    +0.150 A 
ATOM     14  F   LIG    1       -1.912  -1.559  -1.926  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1       -2.804  -3.434  -0.830  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -3.080  -4.097   0.357  0.00  0.00    +0.126 A 
ATOM     17  F   LIG    1       -3.623  -5.321   0.318  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -2.795  -3.515   1.590  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -2.224  -2.241   1.641  0.00  0.00    +0.032 A 
ENDBRANCH   2  12
BRANCH   1  20
ATOM     20  S   LIG    1        0.854  -1.209   1.711  0.00  0.00    -0.082 S 
BRANCH  20  21
ATOM     21  C   LIG    1        1.709  -1.645   0.171  0.00  0.00    +0.117 C 
BRANCH  21  24
ATOM     22  C   LIG    1        4.609  -0.731   1.368  0.00  0.00    +0.069 C 
ATOM     23  C   LIG    1        3.885  -0.191   0.194  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1        2.615  -0.578  -0.322  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        2.436   0.266  -1.399  0.00  0.00    +0.138 A 
ATOM     26  C   LIG    1        1.373   0.465  -2.402  0.00  0.00    +0.089 C 
ATOM     27  O   LIG    1        3.514   1.084  -1.520  0.00  0.00    -0.359 OA
ATOM     28  N   LIG    1        4.426   0.798  -0.526  0.00  0.00    -0.083 NA
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4