REMARK  Name = BDB033501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.097  -0.196   1.270  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.977  -0.477   0.216  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.939   0.429  -0.233  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -2.629  -0.178  -1.333  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.071  -1.435  -1.502  0.00  0.00    +0.096 A 
ATOM      6  C   LIG    1       -2.046   1.671   0.427  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -1.214   1.944   1.518  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -1.093  -1.607  -0.563  0.00  0.00    -0.359 N 
ATOM      9  H   LIG    1       -0.522  -2.435  -0.447  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -0.266   1.015   1.944  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.735   0.439  -2.120  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1       -4.812   0.723  -1.343  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -3.353   1.605  -2.703  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -4.175  -0.372  -3.117  0.00  0.00    -0.166 F 
ENDBRANCH   4  11
BRANCH   1  15
ATOM     15  N   LIG    1        0.807  -1.220   1.691  0.00  0.00    -0.214 N 
ATOM     16  H   LIG    1        0.483  -1.692   2.539  0.00  0.00    +0.174 HD
BRANCH  15  18
ATOM     17  O   LIG    1        2.537   0.231   2.890  0.00  0.00    -0.149 OA
ATOM     18  S   LIG    1        2.444  -0.827   1.908  0.00  0.00    +0.080 S 
ATOM     19  O   LIG    1        3.126  -2.089   2.107  0.00  0.00    -0.149 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.102  -0.183   0.412  0.00  0.00    +0.165 A 
ATOM     21  S   LIG    1        4.663   0.524   0.496  0.00  0.00    -0.055 S 
ATOM     22  C   LIG    1        4.590   0.848  -1.185  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        3.496   0.462  -1.804  0.00  0.00    -0.254 NA
ATOM     24  C   LIG    1        2.646  -0.132  -0.888  0.00  0.00    +0.147 A 
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4