REMARK  Name = BDB059306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.489  -0.159   2.600  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.030  -0.864   1.740  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.675  -1.810   1.017  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.280  -2.239   0.184  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.468  -0.731   1.417  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -1.915  -0.717   0.085  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.283  -0.574  -0.189  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -4.188  -0.442   0.876  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -3.721  -0.435   2.186  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -4.591  -0.294   3.194  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.370  -0.571   2.470  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  N   LIG    1       -3.772  -0.551  -1.525  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -5.102  -0.437  -1.774  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -5.204  -0.455  -3.103  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -3.960  -0.582  -3.733  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -3.055  -0.643  -2.699  0.00  0.00    +0.114 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.192  -1.599   0.976  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.525  -1.159   1.846  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.735  -0.726  -0.405  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.565  -0.180  -1.068  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.665  -1.575  -1.116  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.634   0.606   0.341  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        2.932   1.681   0.892  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        3.637   2.732   1.478  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.033   2.709   1.503  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.729   1.638   0.940  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.032   0.581   0.354  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5