REMARK  Name = BDB059267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.340   1.399   1.379  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.246   2.645   1.228  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.162   3.131   0.334  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.114   0.558   2.153  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -4.252   2.867  -1.451  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.386   1.787  -0.871  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -3.697   0.438  -1.096  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -2.924  -0.585  -0.523  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -1.830  -0.249   0.283  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -1.512   1.098   0.513  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -2.299   2.111  -0.050  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -3.268  -1.945  -0.771  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -4.325  -2.263  -1.565  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -4.354  -3.596  -1.577  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -3.332  -4.162  -0.805  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -2.647  -3.083  -0.297  0.00  0.00    +0.114 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        1.630   2.792   1.885  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        1.780   2.049   2.583  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.930   2.872   0.769  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        4.016   3.564   1.432  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.396   3.349  -0.491  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.394   1.181   0.603  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        2.666   0.348  -0.234  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        1.585   0.787  -0.892  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        3.038  -0.986  -0.394  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1        4.149  -1.497   0.289  0.00  0.00    -0.048 A 
ATOM     27  C   LIG    1        4.571  -2.923   0.092  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        4.895  -0.643   1.113  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.521   0.694   1.273  0.00  0.00    +0.032 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5