REMARK  Name = BDB058879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.034   2.710  -0.333  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.370   2.798   0.019  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.910   3.399  -0.600  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.434   3.484  -1.167  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -1.582   0.067   3.630  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.648   0.403   2.171  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -0.788   1.360   1.627  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1        0.107   1.952   2.435  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -0.849   1.693   0.276  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -1.815   1.088  -0.541  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.704   0.132  -0.025  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -2.606  -0.197   1.340  0.00  0.00    +0.014 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -3.714  -0.505  -0.886  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -4.603   0.267  -1.652  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -5.563  -0.337  -2.469  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.648  -1.726  -2.535  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.775  -2.510  -1.785  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.817  -1.904  -0.968  0.00  0.00    +0.008 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.143   1.635   0.625  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        1.812   1.373   1.562  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.321   0.230  -0.338  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        2.025   0.566  -1.713  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        1.624  -0.829   0.360  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.066  -0.051  -0.199  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        4.550  -0.991   0.716  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.924  -1.216   0.803  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.802  -0.513  -0.024  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.311   0.414  -0.946  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.939   0.645  -1.040  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5