REMARK  Name = BDB029881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.797  -1.548  -3.887  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        1.808  -0.874  -2.547  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        0.610  -0.449  -1.965  0.00  0.00    +0.138 A 
ATOM      4  F   LIG    1       -0.537  -0.688  -2.622  0.00  0.00    -0.204 F 
ATOM      5  C   LIG    1        0.595   0.203  -0.731  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.812   0.439  -0.074  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.032   0.034  -0.640  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.016  -0.618  -1.883  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.272   0.308   0.072  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1        4.332   1.107   1.191  0.00  0.00    -0.236 NA
ATOM     11  C   LIG    1        5.593   1.116   1.557  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        6.359   0.355   0.722  0.00  0.00    -0.334 N 
ATOM     13  C   LIG    1        5.530  -0.170  -0.234  0.00  0.00    +0.115 A 
BRANCH  12  14
ATOM     14  C   LIG    1        7.795   0.130   0.823  0.00  0.00    +0.082 C 
ATOM     15  C   LIG    1        8.165  -0.588   2.121  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        8.582   1.430   0.661  0.00  0.00    +0.030 C 
ENDBRANCH  12  14
ENDBRANCH   7   9
BRANCH   5  17
ATOM     17  C   LIG    1       -0.662   0.658  -0.080  0.00  0.00    +0.262 C 
ATOM     18  N   LIG    1       -1.845   0.497  -0.780  0.00  0.00    -0.228 N 
ATOM     19  H   LIG    1       -1.905  -0.160  -1.563  0.00  0.00    +0.171 HD
ATOM     20  O   LIG    1       -0.651   1.153   1.046  0.00  0.00    -0.269 OA
BRANCH  18  21
ATOM     21  N   LIG    1       -3.130   0.646   0.043  0.00  0.00    -0.112 NA
ATOM     22  H   LIG    1       -2.892   0.968   0.996  0.00  0.00    +0.171 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -4.047  -0.792   0.143  0.00  0.00    +0.047 S 
ATOM     24  O   LIG    1       -3.836  -1.506  -1.101  0.00  0.00    -0.157 OA
ATOM     25  O   LIG    1       -3.745  -1.397   1.421  0.00  0.00    -0.157 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -5.725  -0.135   0.168  0.00  0.00    +0.149 C 
ATOM     27  C   LIG    1       -5.925   0.889   1.296  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1       -7.374   0.985   1.782  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -8.367   0.658   0.676  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -8.179  -0.764   0.146  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -6.740  -1.274   0.259  0.00  0.00    +0.028 C 
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 6