REMARK  Name = BDB026360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.687   1.542  -2.182  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.596   1.049  -1.055  0.00  0.00    +0.233 C 
ATOM      3  N   LIG    1       -1.430   0.483  -0.603  0.00  0.00    -0.299 N 
ATOM      4  C   LIG    1       -0.097   0.661  -1.187  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1        0.419   0.194   0.133  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        1.583   0.871   0.778  0.00  0.00    +0.116 C 
ATOM      7  N   LIG    1        1.968  -0.451   1.257  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1        1.169  -1.097   0.224  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1       -0.938   0.291   0.763  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        3.320  -0.809   1.524  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        4.380  -0.761   0.575  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        5.643  -1.144   1.016  0.00  0.00    +0.110 A 
ATOM     13  S   LIG    1        6.836  -1.040  -0.195  0.00  0.00    -0.073 S 
ATOM     14  C   LIG    1        5.712  -0.481  -1.354  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        5.973  -1.563   2.252  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1        4.943  -1.595   3.116  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1        4.444  -0.385  -0.814  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        3.633  -1.243   2.829  0.00  0.00    +0.094 A 
BRANCH  18  19
ATOM     19  C   LIG    1        2.593  -1.332   3.903  0.00  0.00    +0.421 C 
ATOM     20  F   LIG    1        1.580  -2.194   3.603  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        2.004  -0.136   4.187  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        3.093  -1.774   5.095  0.00  0.00    -0.166 F 
ENDBRANCH  18  19
BRANCH  14  23
ATOM     23  C   LIG    1        6.157  -0.172  -2.756  0.00  0.00    +0.155 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.263   1.317  -3.031  0.00  0.00    +0.394 C 
ATOM     25  F   LIG    1        6.656   1.530  -4.309  0.00  0.00    -0.170 F 
ATOM     26  F   LIG    1        7.161   1.922  -2.225  0.00  0.00    -0.170 F 
ATOM     27  F   LIG    1        5.071   1.937  -2.872  0.00  0.00    -0.170 F 
ENDBRANCH  23  24
ENDBRANCH  14  23
ENDBRANCH   7  10
BRANCH   2  28
ATOM     28  C   LIG    1       -3.795   1.008  -0.081  0.00  0.00    +0.144 C 
ATOM     29  C   LIG    1       -4.345  -0.426   0.101  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -5.476  -0.362   1.143  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -6.539   0.641   0.675  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1       -6.151   1.225  -0.695  0.00  0.00    +0.054 C 
ATOM     33  C   LIG    1       -5.997   0.087  -1.717  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1       -4.948  -0.919  -1.228  0.00  0.00    +0.007 C 
ATOM     35  N   LIG    1       -4.866   1.932  -0.556  0.00  0.00    -0.303 NA
ATOM     36  H   LIG    1       -4.577   2.280  -1.480  0.00  0.00    +0.123 HD
ENDBRANCH   2  28
TORSDOF 5