REMARK  Name = BDB026881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.366   1.202   0.665  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.168   2.132  -0.533  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.018   1.670  -1.845  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.198   2.567  -2.903  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        0.190   3.939  -2.668  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        0.000   4.419  -1.377  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.178   3.525  -0.319  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -0.846  -0.229   0.305  0.00  0.00    +0.204 C 
ATOM      9  O   LIG    1       -0.084  -1.080  -0.169  0.00  0.00    -0.288 OA
BRANCH   8  17
ATOM     10  C   LIG    1       -5.652   0.419   1.359  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -4.365  -0.203   0.959  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -4.247  -1.527   0.582  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1       -2.907  -1.738   0.281  0.00  0.00    +0.076 A 
ATOM     14  C   LIG    1       -2.524  -3.045  -0.141  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.456  -4.013  -0.232  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.851  -3.761   0.090  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -2.273  -0.527   0.494  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1       -5.214  -2.530   0.487  0.00  0.00    +0.093 A 
ATOM     19  N   LIG    1       -3.199   0.413   0.912  0.00  0.00    -0.229 NA
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  N   LIG    1        0.775   1.238   1.624  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.102   2.200   1.695  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.921   0.357   1.397  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.739   0.613   0.125  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.994  -0.230   0.091  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        3.924  -1.579  -0.289  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.075  -2.367  -0.311  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.301  -1.812   0.049  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        7.721  -2.783   0.023  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        6.384  -0.474   0.433  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.232   0.315   0.455  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7