REMARK  Name = BDB057181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.551   0.727   2.104  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.467   0.812   1.534  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -4.055  -0.226   0.565  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.734  -0.462   0.148  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -2.413  -1.484  -0.744  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -3.418  -2.309  -1.265  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1       -4.726  -2.086  -0.853  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1       -5.703  -2.869  -1.332  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -1.068  -1.524  -0.986  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -0.533  -0.591  -0.225  0.00  0.00    +0.149 A 
ATOM     11  N   LIG    1       -1.518   0.130   0.419  0.00  0.00    -0.321 N 
ATOM     12  C   LIG    1       -1.331   1.350   1.179  0.00  0.00    +0.142 C 
ATOM     13  C   LIG    1       -2.500   2.317   1.059  0.00  0.00    +0.126 C 
ATOM     14  C   LIG    1       -5.047  -1.077   0.045  0.00  0.00    +0.053 A 
ATOM     15  N   LIG    1       -3.661   1.885   1.806  0.00  0.00    -0.310 N 
ATOM     16  H   LIG    1       -4.110   2.552   2.424  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        0.888  -0.380  -0.160  0.00  0.00    +0.055 A 
ATOM     18  S   LIG    1        1.726  -0.090   1.309  0.00  0.00    -0.090 S 
ATOM     19  C   LIG    1        3.219  -0.009   0.511  0.00  0.00    -0.004 A 
ATOM     20  C   LIG    1        4.508   0.285   1.209  0.00  0.00    +0.058 C 
ATOM     21  C   LIG    1        5.686  -0.036   0.264  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1        5.453   0.453  -1.107  0.00  0.00    -0.312 NA
ATOM     23  H   LIG    1        6.287   0.289  -1.669  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        4.322  -0.244  -1.747  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1        3.123  -0.225  -0.848  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1        1.765  -0.460  -1.227  0.00  0.00    +0.024 A 
ENDBRANCH  10  17
TORSDOF 1