REMARK  Name = BDB016921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.869  -0.051  -1.352  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -2.094   0.719  -0.487  0.00  0.00    -0.339 N 
ATOM      3  H   LIG    1       -2.458   1.458   0.104  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -0.831   0.259  -0.599  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        0.495   0.512  -0.028  0.00  0.00    +0.161 C 
ATOM      6  N   LIG    1        1.294  -0.535  -0.763  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1        0.462  -1.317  -1.637  0.00  0.00    +0.272 C 
ATOM      8  O   LIG    1        0.754  -2.241  -2.378  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -0.861  -0.761  -1.487  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1       -2.112  -0.962  -1.969  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.684  -0.646  -0.643  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        3.429   0.250   0.037  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.806   0.151   0.156  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        5.524   1.190   0.877  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        5.540  -0.863  -0.454  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        6.765  -0.944  -0.418  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.736  -1.890  -1.181  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        5.491  -3.025  -1.796  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        3.400  -1.760  -1.247  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   5  20
ATOM     20  C   LIG    1        0.493   0.365   1.484  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        0.496   1.515   2.293  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.475   1.408   3.686  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.443   0.151   4.284  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.415   0.021   5.998  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.429  -1.000   3.501  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.450  -0.894   2.108  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  28
ATOM     27  C   LIG    1       -5.095   1.063  -0.847  0.00  0.00    +0.225 A 
ATOM     28  C   LIG    1       -4.314   0.128  -1.538  0.00  0.00    +0.079 A 
ATOM     29  C   LIG    1       -4.982  -0.682  -2.467  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1       -6.352  -0.542  -2.670  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -7.027   0.409  -1.929  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1       -6.431   1.217  -1.026  0.00  0.00    -0.221 NA
BRANCH  27  34
ATOM     33  C   LIG    1       -5.353   2.794   0.721  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1       -4.465   1.879   0.081  0.00  0.00    -0.479 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4