REMARK  Name = BDB014810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.213  -0.482   0.183  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.521  -1.443   0.264  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.928  -2.008   0.714  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.430  -2.124   0.596  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.685  -0.957   0.713  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.220  -1.130   0.687  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.536   0.171   0.462  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.167   0.481   0.238  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.007   1.804   0.107  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.239   2.326   0.219  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.407   3.753   0.094  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.188   1.385   0.456  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.644   1.565   0.649  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.214   0.291   1.308  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -4.909  -3.223   0.395  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.186  -0.411  -0.002  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.896   0.783  -0.139  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.287   0.788  -0.317  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.018  -0.406  -0.365  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        3.309  -1.606  -0.228  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.919  -1.607  -0.049  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.478  -0.399  -0.551  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        6.310   0.363   0.287  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        7.694   0.364   0.105  0.00  0.00    +0.042 A 
ATOM     25 CL   LIG    1        8.691   1.304   1.147  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        8.276  -0.389  -0.911  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        7.468  -1.150  -1.752  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.082  -1.154  -1.572  0.00  0.00    +0.008 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3