REMARK  Name = BDB053358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.994   2.136  -0.583  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -1.219   0.936  -0.614  0.00  0.00    +0.267 A 
ATOM      3  N   LIG    1       -0.445  -0.047  -1.207  0.00  0.00    -0.272 N 
ATOM      4  S   LIG    1       -1.040  -1.647  -1.022  0.00  0.00    +0.012 S 
ATOM      5  C   LIG    1       -2.446  -1.034  -0.119  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -3.424  -1.819   0.368  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -4.409  -1.165   1.030  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.449   0.219   1.216  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.417   0.998   0.695  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -2.405   0.342   0.016  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        0.839   0.213  -1.821  0.00  0.00    +0.168 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.984   0.071  -0.844  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        2.305   1.123   0.030  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.347   0.978   0.942  0.00  0.00    +0.159 A 
ATOM     15  F   LIG    1        3.644   1.991   1.767  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1        4.071  -0.206   1.000  0.00  0.00    +0.158 A 
ATOM     17  F   LIG    1        5.072  -0.343   1.880  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1        3.763  -1.261   0.149  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        2.719  -1.125  -0.770  0.00  0.00    +0.008 A 
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 2