REMARK  Name = BDB058855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.660   0.569  -1.289  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.300   0.786  -0.260  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -0.766   1.527   0.781  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.168   1.449   1.717  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.675   0.247  -0.092  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -3.408   0.400   1.087  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1       -2.892   1.050   2.141  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -4.695  -0.122   1.205  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -5.266  -0.810   0.136  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -4.547  -0.973  -1.048  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.257  -0.448  -1.163  0.00  0.00    +0.016 A 
ENDBRANCH   2   5
BRANCH   3  12
ATOM     12  N   LIG    1        0.752   1.720   0.734  0.00  0.00    -0.108 NA
ATOM     13  H   LIG    1        1.083   1.761  -0.240  0.00  0.00    +0.172 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.644   0.555   1.631  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        2.329   1.257   2.695  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.768  -0.565   1.915  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.844   0.031   0.436  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1        4.160   0.496   0.518  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        5.095   0.072  -0.426  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.717  -0.813  -1.438  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.403  -1.280  -1.509  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.462  -0.863  -0.569  0.00  0.00    +0.028 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   3  12
TORSDOF 4