REMARK  Name = BDB017683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.364  -3.280  -2.528  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.976  -2.032  -1.924  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -2.460  -2.031  -0.609  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.011  -0.870  -0.056  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.124   0.313  -0.801  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -3.733   1.503  -0.159  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -3.936   2.660  -0.910  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.100   2.473  -1.895  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.763   3.746  -0.395  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -4.476   3.941   1.089  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -4.677   2.631   1.857  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.090   1.444   1.140  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -3.947   0.190   1.927  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -4.284   0.122   3.106  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -2.634   0.309  -2.113  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.437  -0.895   1.274  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.346  -1.735   1.829  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -2.076  -0.849  -2.669  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        2.396  -2.290  -0.902  0.00  0.00    -0.307 N 
ATOM     20  C   LIG    1        1.982  -3.685  -0.695  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        0.469  -3.845  -0.968  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        0.075  -3.473  -2.337  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        0.940  -2.432  -2.912  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        1.633  -1.509  -1.880  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1        4.784  -0.277   1.254  0.00  0.00    +0.117 A 
ATOM     26  S   LIG    1        3.685  -0.041  -0.031  0.00  0.00    -0.046 S 
ATOM     27  C   LIG    1        3.293  -1.730  -0.043  0.00  0.00    +0.161 A 
ATOM     28  N   LIG    1        3.952  -2.424   0.863  0.00  0.00    -0.232 NA
ATOM     29  C   LIG    1        4.792  -1.611   1.595  0.00  0.00    +0.135 A 
BRANCH  25  30
ATOM     30  C   LIG    1        5.563   0.776   1.860  0.00  0.00    +0.347 C 
ATOM     31  O   LIG    1        6.356   0.610   2.779  0.00  0.00    -0.244 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.305   1.985   1.282  0.00  0.00    -0.461 OA
BRANCH  32  34
ATOM     33  C   LIG    1        5.297   3.687   3.005  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        6.030   3.105   1.810  0.00  0.00    +0.229 C 
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 6