REMARK  Name = BDB059920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.171   0.514   0.666  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1       -1.776  -0.470  -0.301  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -0.419  -0.782  -0.318  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.220  -1.711  -1.301  0.00  0.00    +0.209 A 
ATOM      5  N   LIG    1       -1.340  -2.058  -1.881  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1        0.538  -0.209   0.547  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.152   0.684   1.414  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.327  -1.277  -1.293  0.00  0.00    +0.202 A 
ATOM      9  C   LIG    1       -1.183   1.016   1.444  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.517   2.802   0.138  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -5.410   2.032   0.649  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1       -5.530   1.388   1.829  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -4.352   0.776   1.975  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1       -3.498   0.996   0.875  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -4.191   1.860   0.061  0.00  0.00    +0.116 A 
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  S   LIG    1       -3.983  -1.430  -1.830  0.00  0.00    +0.013 S 
ATOM     17  O   LIG    1       -4.448  -0.082  -2.078  0.00  0.00    -0.168 OA
ATOM     18  O   LIG    1       -3.959  -2.418  -2.893  0.00  0.00    -0.168 OA
ATOM     19  C   LIG    1       -4.837  -2.142  -0.453  0.00  0.00    +0.202 C 
ENDBRANCH   8  16
BRANCH   6  20
ATOM     20  N   LIG    1        1.856  -0.607   0.454  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.041  -1.536   0.092  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.833  -0.192   1.448  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.210  -0.550   0.971  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.834   0.125  -0.074  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.334   1.225  -0.934  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.645   1.622  -1.614  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.560   0.503  -1.564  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        6.097  -0.248  -0.516  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.794  -1.298   0.047  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.192  -1.986   1.101  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.918  -1.611   1.550  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        4.364  -2.309   2.552  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5