REMARK  Name = BDB058914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.419  -0.122   1.571  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.330  -1.229   1.040  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -1.255  -2.228   1.296  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.347  -3.011   0.647  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.773  -1.531   0.091  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        0.878  -2.749  -0.579  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1       -0.030  -3.720  -0.395  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        1.926  -2.991  -1.461  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        2.887  -2.003  -1.684  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        2.814  -0.762  -1.029  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        1.745  -0.543  -0.141  0.00  0.00    +0.024 A 
BRANCH  10  12
ATOM     12  C   LIG    1        3.828   0.280  -1.265  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        4.149   0.697  -2.568  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        5.111   1.685  -2.793  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.770   2.275  -1.717  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.467   1.877  -0.417  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.504   0.889  -0.194  0.00  0.00    +0.008 A 
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1       -2.562  -1.758   1.941  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -2.393  -0.947   2.553  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.824  -1.421   0.821  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1       -3.238  -1.317  -0.501  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -4.903  -2.348   1.090  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.329   0.199   1.333  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1       -3.555   1.304   0.966  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -3.951   2.581   1.364  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.116   2.748   2.115  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.891   1.642   2.470  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.501   0.362   2.078  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5