REMARK  Name = BDB006149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.969   0.437  -0.905  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.591   1.682  -0.393  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.641   2.585   0.150  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.790   3.736   0.523  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.611   1.858   0.085  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.863   2.114   0.440  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.525   0.997   0.044  0.00  0.00    -0.267 N 
ATOM      8  C   LIG    1        1.709   0.045  -0.566  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.450   0.608  -0.510  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.244  -0.196   2.172  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.652  -1.142   1.072  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.510  -0.855  -0.310  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.938  -1.836  -1.238  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.473  -3.058  -0.827  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.596  -3.328   0.526  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.248  -4.832   1.044  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.192  -2.384   1.467  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.979   1.966  -0.535  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.665   2.790   0.374  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -3.050   3.237   1.481  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.026   3.066   0.213  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.862   4.061   1.345  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.733   2.515  -0.853  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.079   1.674  -1.749  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.716   1.397  -1.587  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        2.218  -1.252  -1.134  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        1.827  -2.443  -0.262  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        1.759  -1.451  -2.579  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.962   0.942   0.276  0.00  0.00    +0.146 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.298   0.242   1.590  0.00  0.00    +0.051 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.790  -0.018   1.729  0.00  0.00    +0.157 C 
BRANCH  31  32
ATOM     32  O   LIG    1        6.509   1.197   1.603  0.00  0.00    -0.395 OA
ATOM     33  H   LIG    1        7.439   1.011   1.822  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 7