REMARK  Name = BDB015345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.027  -0.545  -3.135  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1       -0.011  -0.131  -1.746  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.722   1.064  -1.342  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.679   0.123  -1.228  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        2.731  -0.117  -2.112  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        4.045   0.088  -1.684  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.325   0.538  -0.381  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        3.244   0.781   0.485  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.926   0.579   0.068  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.712   0.755   0.062  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        6.674  -0.262  -0.045  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        7.992  -0.058   0.377  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        8.387   1.176   0.910  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        7.431   2.194   1.028  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.114   1.986   0.607  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.803   1.391   1.386  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       10.717   0.659   0.690  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       10.211   2.687   1.286  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        9.967   1.047   2.693  0.00  0.00    -0.166 F 
ENDBRANCH  13  16
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  20
ATOM     20  N   LIG    1       -0.449  -1.467  -0.808  0.00  0.00    -0.172 N 
ATOM     21  C   LIG    1       -1.774  -1.862  -0.550  0.00  0.00    +0.201 C 
ATOM     22  N   LIG    1       -1.946  -3.136  -0.391  0.00  0.00    -0.253 NA
ATOM     23  C   LIG    1       -0.606  -3.757  -0.496  0.00  0.00    +0.166 C 
ATOM     24  C   LIG    1        0.350  -2.688  -1.018  0.00  0.00    +0.158 C 
BRANCH  21  25
ATOM     25  N   LIG    1       -2.739  -0.903  -0.484  0.00  0.00    -0.300 N 
ATOM     26  C   LIG    1       -4.088  -1.238  -0.982  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1       -5.150  -1.184   0.134  0.00  0.00    +0.103 C 
ATOM     28  N   LIG    1       -5.268   0.130   0.818  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1       -3.979   0.867   0.750  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1       -2.752  -0.064   0.734  0.00  0.00    +0.123 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -6.323   0.940   0.189  0.00  0.00    +0.057 C 
ATOM     32  C   LIG    1       -6.633   2.185   1.065  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1       -8.126   1.893   0.805  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -7.719   0.415   0.625  0.00  0.00    +0.019 C 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   2  20
TORSDOF 6