REMARK  Name = BDB006164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.672   0.607  -0.684  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.189   1.792   0.041  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.163   2.500   0.725  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.203   3.584   1.283  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.015   1.675   0.546  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        2.277   1.722   0.953  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.817   0.596   0.410  0.00  0.00    -0.265 N 
ATOM      8  C   LIG    1        1.923  -0.131  -0.369  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.742   0.570  -0.249  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.214  -0.486   2.221  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.564  -1.229   0.957  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.311  -0.731  -0.346  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.681  -1.539  -1.449  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.278  -2.789  -1.280  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.521  -3.261  -0.001  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.256  -4.801   0.218  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.170  -2.494   1.107  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.541   2.230  -0.063  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.158   2.986   0.949  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -2.523   3.214   2.109  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.482   3.416   0.823  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.234   4.327   2.078  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.223   3.088  -0.310  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.641   2.314  -1.309  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.315   1.883  -1.183  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        2.201  -1.387  -1.147  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.655  -2.549  -0.268  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        3.139  -1.148  -2.329  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        4.205   0.325   0.724  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.378  -0.177   2.150  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  O   LIG    1        5.750  -0.473   2.406  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        6.202   0.374   2.572  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 6