REMARK  Name = BDB059325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.045   0.109   0.922  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.081  -0.589   0.525  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.134  -0.987  -0.416  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.014   0.897   1.866  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.625  -2.023  -2.847  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.572  -1.114  -1.655  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -1.372  -0.939  -0.959  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1       -0.279  -1.583  -1.397  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -1.303  -0.111   0.162  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -2.467   0.547   0.595  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.693   0.384  -0.072  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -3.725  -0.459  -1.198  0.00  0.00    +0.014 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.907   1.071   0.392  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -4.933   2.441   0.632  0.00  0.00    +0.143 A 
ATOM     15  N   LIG    1       -6.031   3.107   1.056  0.00  0.00    -0.157 NA
ATOM     16  N   LIG    1       -7.182   2.422   1.269  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1       -7.206   1.093   1.054  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1       -6.102   0.385   0.617  0.00  0.00    +0.031 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.417  -0.059   1.079  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.230   0.630   1.826  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.393   0.701  -0.108  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        3.342   2.123   0.150  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        3.026   0.142  -1.394  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.998   0.093   0.329  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        5.383  -1.185  -0.087  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        6.654  -1.658   0.238  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.533  -0.855   0.967  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.148   0.425   1.370  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.879   0.906   1.049  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5