REMARK  Name = BDB016815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.506  -0.614   0.512  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1        0.399  -0.032  -0.551  0.00  0.00    +0.163 C 
ATOM      3  C   LIG    1        1.715  -0.513  -0.077  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        1.594  -1.210   1.079  0.00  0.00    +0.127 A 
ATOM      5  N   LIG    1        2.834  -1.615   1.421  0.00  0.00    -0.338 N 
ATOM      6  H   LIG    1        3.111  -2.161   2.225  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1        3.660  -1.158   0.410  0.00  0.00    +0.111 A 
ATOM      8  N   LIG    1        2.995  -0.492  -0.524  0.00  0.00    -0.234 NA
ATOM      9  C   LIG    1        0.248  -1.301   1.514  0.00  0.00    +0.270 C 
ATOM     10  O   LIG    1       -0.116  -1.876   2.524  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -4.975  -1.548   2.522  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -4.086  -0.993   1.454  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -4.760  -0.322   0.301  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -5.985  -0.249   0.259  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -3.909   0.190  -0.673  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -4.482   0.870  -1.826  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -2.530   0.085  -0.590  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -1.899  -0.517   0.439  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -2.744  -1.066   1.488  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1        0.499   1.483  -0.575  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        0.182   2.287   0.536  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.285   3.679   0.464  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.713   4.284  -0.714  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.839   5.997  -0.800  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        1.044   3.509  -1.822  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.939   2.118  -1.752  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   7  27
ATOM     27  C   LIG    1        5.194  -1.392   0.366  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.810  -1.903  -0.910  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        5.720  -2.801   0.290  0.00  0.00    +0.012 C 
ENDBRANCH   7  27
TORSDOF 3