REMARK  Name = BDB059396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.155  -1.641   1.153  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.108  -0.619   0.473  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.045   0.135   0.350  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.145   0.846  -0.372  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.304  -0.124  -0.255  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.564  -0.321   0.330  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.745   0.121  -0.298  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -3.606   0.757  -1.548  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.355   0.938  -2.147  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.202   0.495  -1.504  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.070  -0.075   0.325  0.00  0.00    +0.160 A 
ATOM     12  N   LIG    1       -5.117  -0.656   1.541  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1       -6.336  -0.825   2.084  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -7.501  -0.437   1.469  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -7.351   0.149   0.236  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -6.157   0.343  -0.356  0.00  0.00    -0.236 NA
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.346  -0.573   0.736  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.144  -1.452   1.240  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.358  -0.925  -0.599  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.520  -2.363  -0.620  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.857  -0.202  -1.751  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.881  -0.204  -0.102  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        4.953   1.175   0.046  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        3.883   1.954  -0.163  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        6.150   1.775   0.426  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.280   0.988   0.656  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        7.209  -0.399   0.503  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.008  -1.001   0.122  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5