REMARK  Name = BDB002853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.066  -0.187  -2.166  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -0.177   0.461  -1.159  0.00  0.00    +0.281 C 
ATOM      3  N   LIG    1        0.747   1.186  -0.430  0.00  0.00    -0.231 N 
ATOM      4  H   LIG    1        0.396   1.945   0.157  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.587   0.560  -0.592  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1       -2.435  -0.642  -0.469  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -3.714  -0.460   0.054  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -4.583  -1.548   0.210  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -4.163  -2.826  -0.156  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.882  -3.015  -0.672  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.143   0.890   0.457  0.00  0.00    +0.272 A 
ATOM     12  O   LIG    1       -5.261   1.099   0.913  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.215   1.892   0.300  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -3.498   2.831   0.567  0.00  0.00    +0.192 HD
ATOM     15  C   LIG    1       -2.015  -1.929  -0.827  0.00  0.00    +0.011 A 
ATOM     16  N   LIG    1       -1.961   1.751  -0.214  0.00  0.00    -0.166 NA
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.009   1.408  -1.032  0.00  0.00    -0.261 N 
ATOM     18  H   LIG    1        2.073   0.867  -1.910  0.00  0.00    +0.170 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.084   1.041  -0.166  0.00  0.00    +0.081 A 
ATOM     20  C   LIG    1        3.243   1.569   1.134  0.00  0.00    +0.066 A 
ATOM     21 CL   LIG    1        2.148   2.734   1.804  0.00  0.00    -0.081 Cl
ATOM     22  C   LIG    1        4.330   1.199   1.935  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        5.285   0.314   1.444  0.00  0.00    +0.044 A 
ATOM     24 CL   LIG    1        6.619  -0.136   2.432  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        5.175  -0.201   0.158  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        4.090   0.169  -0.639  0.00  0.00    +0.066 A 
ATOM     27 CL   LIG    1        4.000  -0.495  -2.236  0.00  0.00    -0.081 Cl
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 3