REMARK  Name = BDB059346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.440   0.671  -0.116  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.729   0.285  -0.746  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.856  -0.657  -1.113  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.510   1.692   0.564  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.043  -0.356  -0.462  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.893   0.410  -0.288  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.629  -0.198  -0.313  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.518  -1.584  -0.486  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.666  -2.361  -0.674  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -2.565  -3.851  -0.821  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.920  -1.737  -0.652  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -5.331   0.099  -0.458  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -5.639   1.900   1.141  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -5.572   1.500  -0.322  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.018   0.939  -0.222  0.00  0.00    -0.107 NA
ATOM     16  H   LIG    1        1.783   1.698   0.441  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.061  -0.170   0.576  0.00  0.00    +0.079 S 
ATOM     18  O   LIG    1        2.724  -1.469   0.024  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        2.978   0.091   1.995  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.636   0.326   0.019  0.00  0.00    +0.177 A 
ATOM     21  C   LIG    1        5.005   1.659   0.142  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        4.171   2.561   0.677  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        6.258   2.091  -0.290  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        7.152   1.178  -0.847  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        6.785  -0.163  -0.963  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        5.527  -0.584  -0.527  0.00  0.00    +0.153 A 
ATOM     27  F   LIG    1        5.228  -1.883  -0.643  0.00  0.00    -0.203 F 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6