REMARK  Name = BDB059284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.930  -1.048   0.510  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.544  -2.193   0.031  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.996  -2.851  -0.524  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.552  -0.009   0.717  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.643   0.092   0.867  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.260   0.096   0.704  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.544  -1.111   0.704  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.216  -2.326   0.898  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.603  -2.340   1.080  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -3.338  -3.635   1.258  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.305  -1.127   1.046  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -3.462   1.185   0.878  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -2.402   3.086   1.953  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -2.901   2.477   0.654  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.981  -2.011  -0.482  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        3.504  -1.320   0.076  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.091  -1.650  -2.157  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        1.896  -2.205  -2.767  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        4.411  -2.009  -2.624  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.963   0.102  -2.220  0.00  0.00    +0.145 A 
ATOM     21  C   LIG    1        3.832   0.863  -1.452  0.00  0.00    +0.185 A 
ATOM     22  F   LIG    1        4.736   0.277  -0.654  0.00  0.00    -0.200 F 
ATOM     23  C   LIG    1        3.743   2.248  -1.491  0.00  0.00    +0.160 A 
ATOM     24  F   LIG    1        4.573   2.996  -0.752  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1        2.794   2.879  -2.293  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        1.920   2.111  -3.066  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.002   0.717  -3.032  0.00  0.00    +0.032 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6