REMARK  Name = BDB058912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.285  -0.663  -0.242  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.300  -1.650   0.064  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1        1.171  -0.220  -0.467  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.326   0.791  -0.431  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1        2.139  -1.088   0.006  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1        1.866  -2.246   0.321  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1        3.527  -0.573   0.135  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        3.875   0.746  -0.162  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        2.953   1.626  -0.579  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.190   1.190  -0.027  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        6.178   0.310   0.410  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        5.848  -1.011   0.712  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.528  -1.452   0.576  0.00  0.00    +0.016 A 
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -1.112   0.270   0.932  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -1.256  -0.555   2.111  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1       -0.475   1.571   0.983  0.00  0.00    -0.152 OA
BRANCH  14  19
ATOM     17  C   LIG    1       -5.013  -0.223  -0.024  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -3.747  -0.393   0.537  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -2.697   0.455   0.167  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -2.890   1.465  -0.777  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -4.137   1.598  -1.382  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.183   0.743  -1.022  0.00  0.00    +0.023 A 
BRANCH  17  23
ATOM     23  N   LIG    1       -6.030  -1.145   0.244  0.00  0.00    -0.358 N 
ATOM     24  H   LIG    1       -6.965  -0.793   0.061  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1       -5.960  -1.589   1.154  0.00  0.00    +0.142 HD
ENDBRANCH  17  23
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 5