REMARK  Name = BDB060985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.526  -1.472   0.178  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -2.944  -0.344  -0.469  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.987   0.453   0.226  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -1.385   1.540  -0.477  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -1.750   1.859  -1.793  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -2.705   1.100  -2.447  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.709   0.112   1.574  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.334  -0.955   2.216  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.285   0.014  -1.795  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -3.247  -1.731   1.523  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -4.556  -2.249  -0.404  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1       -5.467  -1.889  -0.125  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1       -4.500  -2.300  -1.414  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  S   LIG    1       -0.098   2.545   0.252  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1       -0.543   2.987   1.553  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        0.357   3.492  -0.745  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        1.151   1.459   0.489  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        1.175   1.005   1.399  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.696   0.743  -0.656  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.967   0.023  -0.276  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1        4.159   0.746  -0.100  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        5.334   0.092   0.271  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        5.317  -1.282   0.473  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1        6.445  -1.911   0.831  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        4.147  -2.015   0.315  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        2.970  -1.364  -0.056  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   4  14
TORSDOF 5