REMARK  Name = BDB033772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.147   0.212   0.851  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        1.482   0.121   0.781  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1        2.190   0.476   1.871  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1        1.623   0.925   3.035  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.254   0.989   3.013  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -0.493   0.643   1.946  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.421   1.311   4.221  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1        3.175   0.292   4.718  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        1.645   1.725   5.266  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        3.278   2.341   3.982  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1       -0.530  -0.165  -0.304  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.143  -0.462  -0.995  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1       -4.565  -0.531  -1.469  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1       -3.538  -0.786  -2.376  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -2.208  -0.660  -1.960  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -1.882  -0.293  -0.642  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -2.936  -0.051   0.248  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.271  -0.177  -0.153  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1       -6.254  -0.704  -1.988  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1       -6.297  -1.710  -3.026  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1       -7.086  -0.787  -0.808  0.00  0.00    -0.153 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -6.442   2.006  -1.994  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1       -6.553   0.762  -2.738  0.00  0.00    -0.193 NA
ATOM     24  H   LIG    1       -6.420   0.764  -3.747  0.00  0.00    +0.148 HD
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1        3.566   0.391   1.835  0.00  0.00    -0.473 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.119  -0.104   0.620  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1        5.619   0.181   0.607  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        6.170  -0.787  -0.430  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        5.216  -1.982  -0.430  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        4.095  -1.628   0.541  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7