REMARK  Name = BDB058919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.645  -2.223  -0.117  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.766  -1.096   0.361  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -0.666  -0.349   0.742  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.740   0.667   0.842  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.112  -0.490   0.536  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -3.300   0.793   1.048  0.00  0.00    +0.170 A 
ATOM      7  F   LIG    1       -2.253   1.554   1.407  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1       -4.585   1.309   1.192  0.00  0.00    +0.159 A 
ATOM      9  F   LIG    1       -4.758   2.542   1.687  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -5.700   0.561   0.829  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -5.527  -0.723   0.314  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.238  -1.246   0.168  0.00  0.00    +0.016 A 
ENDBRANCH   2   5
BRANCH   3  13
ATOM     13  N   LIG    1        0.689  -0.849   0.211  0.00  0.00    -0.108 NA
ATOM     14  H   LIG    1        0.576  -1.796  -0.185  0.00  0.00    +0.172 HD
BRANCH  13  15
ATOM     15  S   LIG    1        1.360   0.154  -1.006  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        0.802   1.480  -0.832  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1        1.247  -0.565  -2.256  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.062   0.193  -0.518  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        3.994  -0.617  -1.173  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.335  -0.563  -0.794  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        5.739   0.300   0.226  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.806   1.115   0.870  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.463   1.068   0.497  0.00  0.00    +0.028 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   3  13
TORSDOF 4