REMARK  Name = BDB058856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.269   2.710   0.138  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -1.171   2.757  -0.361  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -0.868   0.496  -1.391  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.326   0.700  -1.177  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1        0.767   1.826  -0.508  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.729   1.941  -0.188  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        1.349  -0.282  -1.619  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        2.703  -0.156  -1.304  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        3.147   0.877  -0.572  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        3.632  -1.103  -1.732  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        3.210  -2.197  -2.486  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        1.861  -2.340  -2.807  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        0.932  -1.389  -2.375  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -0.508   2.521   1.814  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -1.645   3.313   2.217  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.788   2.681   2.442  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -0.970   0.800   1.957  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1       -2.230   0.335   1.533  0.00  0.00    +0.081 A 
ATOM     19  C   LIG    1       -2.519  -1.034   1.705  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -1.586  -1.907   2.269  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.347  -1.430   2.683  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.038  -0.080   2.534  0.00  0.00    +0.029 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -3.288   1.226   0.925  0.00  0.00    +0.419 C 
ATOM     24  F   LIG    1       -2.802   2.162   0.063  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -4.211   0.526   0.201  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -4.008   1.894   1.864  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 5