REMARK  Name = BDB059367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.704  -0.108  -1.772  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.759  -0.097  -0.546  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -0.337  -0.387   0.246  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.359  -0.177   1.242  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.028   0.218   0.159  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.233  -0.139  -0.462  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        4.464   0.133   0.153  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        4.467   0.781   1.398  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.268   1.156   2.011  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.049   0.880   1.393  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.712  -0.253  -0.497  0.00  0.00    +0.202 A 
ATOM     12  N   LIG    1        6.933  -0.011   0.013  0.00  0.00    -0.056 NA
ATOM     13  O   LIG    1        7.801  -0.548  -0.937  0.00  0.00    -0.341 OA
ATOM     14  C   LIG    1        7.021  -1.060  -1.919  0.00  0.00    +0.343 A 
ATOM     15  N   LIG    1        5.738  -0.915  -1.707  0.00  0.00    -0.194 NA
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1       -1.702  -0.329  -0.452  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1       -1.573  -0.229  -1.473  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.688   0.964   0.093  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1       -2.681   1.998  -0.915  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1       -2.268   1.236   1.458  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.282   0.231   0.142  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1       -4.804  -0.313  -1.023  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1       -4.104  -0.301  -2.166  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1       -6.068  -0.895  -1.019  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -6.812  -0.928   0.162  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -6.288  -0.381   1.335  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.019   0.203   1.330  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5