REMARK  Name = BDB059232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.046  -2.093   0.217  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.192  -1.026  -0.342  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.815  -0.204  -0.820  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.650   0.804  -0.866  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.586  -0.533  -0.504  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -2.578  -1.033   0.355  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.911  -0.599   0.237  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -4.244   0.330  -0.754  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -3.252   0.805  -1.607  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -3.579   1.686  -2.561  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.931   0.386  -1.498  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  N   LIG    1       -4.897  -1.113   1.126  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -4.564  -2.007   2.090  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -5.705  -2.267   2.726  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -6.788  -1.554   2.195  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -6.244  -0.819   1.168  0.00  0.00    +0.114 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.233  -0.569  -0.338  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.225  -1.484   0.144  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.920   0.596   0.712  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.175  -0.085   1.963  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.100   1.789   0.650  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.459   0.928  -0.065  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        4.463   1.531  -1.316  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        3.321   1.840  -1.944  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        5.670   1.817  -1.950  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.876   1.501  -1.323  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.872   0.899  -0.063  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.663   0.611   0.573  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5