REMARK  Name = BDB059295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.474   2.190  -0.427  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.552   1.155   0.231  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.573   0.507   0.715  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.535  -0.509   0.834  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.865   0.512   0.509  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.950   0.840  -0.314  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -4.214   0.266  -0.103  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.390  -0.649   0.961  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -5.654  -1.223   1.170  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -6.730  -0.900   0.341  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.556   0.001  -0.706  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.300  -0.961   1.788  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -5.306   0.580  -0.927  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -2.046  -0.383   1.569  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  N   LIG    1        1.913   1.001   0.114  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        1.734   1.812  -0.505  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.720  -0.200  -0.815  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        2.641   0.256  -2.184  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        2.184  -1.474  -0.376  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.386  -0.092  -0.271  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        5.358  -0.716  -1.042  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        5.034  -1.400  -2.147  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        6.698  -0.654  -0.668  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        7.064   0.038   0.487  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.088   0.662   1.266  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.743   0.599   0.891  0.00  0.00    +0.031 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4