REMARK  Name = BDB042381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.315   1.128  -0.522  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.094   1.096  -0.332  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        1.913   2.014  -0.996  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        1.342   2.941  -1.874  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -0.043   2.970  -2.084  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -0.865   2.065  -1.408  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.544  -1.806   1.197  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.786  -1.201   0.104  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.619   0.256   0.286  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.270   0.700   0.898  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.098   0.164   0.160  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.410  -0.992  -0.723  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.484  -1.885  -0.065  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  N   LIG    1        2.201   3.899  -2.578  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1        3.411   3.903  -2.309  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1        1.665   4.655  -3.401  0.00  0.00    -0.126 OA
ENDBRANCH   4  14
BRANCH   2  17
ATOM     17  N   LIG    1        1.607   0.168   0.612  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1        0.826  -0.425   0.910  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.776  -0.631   0.484  0.00  0.00    +0.148 A 
ATOM     20  C   LIG    1        3.083  -1.482   1.550  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1        4.174  -2.306   1.307  0.00  0.00    +0.155 A 
ATOM     22 CL   LIG    1        4.662  -3.498   2.454  0.00  0.00    -0.060 Cl
ATOM     23  N   LIG    1        4.967  -2.260   0.223  0.00  0.00    -0.222 NA
ATOM     24  C   LIG    1        4.610  -1.353  -0.687  0.00  0.00    +0.225 A 
ATOM     25  N   LIG    1        3.551  -0.537  -0.616  0.00  0.00    -0.219 NA
BRANCH  20  26
ATOM     26  N   LIG    1        2.208  -1.631   2.656  0.00  0.00    -0.353 N 
ATOM     27  H   LIG    1        2.674  -2.048   3.461  0.00  0.00    +0.143 HD
ATOM     28  H   LIG    1        1.758  -0.746   2.890  0.00  0.00    +0.143 HD
ENDBRANCH  20  26
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5