REMARK  Name = BDB014717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.048   0.363   0.255  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.009  -0.559  -0.159  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.064  -2.393  -1.409  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.584  -2.175  -1.232  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.183  -1.090  -0.463  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.730  -0.969  -0.237  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.382   0.382   0.274  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.124   0.998   0.511  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.295   2.232   0.999  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.625   2.415   1.052  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.139   3.679   1.518  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.319   1.321   0.648  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.785   1.130   0.576  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.081  -0.383   0.479  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -3.778  -2.939  -1.766  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.392   0.763   0.442  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.416  -0.103   0.009  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        3.776   0.219   0.159  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1        4.117   1.438   0.751  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        3.116   2.304   1.182  0.00  0.00    +0.043 A 
ATOM     21 CL   LIG    1        3.551   3.804   1.911  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        1.768   1.974   1.030  0.00  0.00    +0.043 A 
BRANCH  18  23
ATOM     23  C   LIG    1        4.799  -0.703  -0.304  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.052  -0.849   0.256  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.684  -1.821  -0.465  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.019  -2.328  -0.257  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        5.931  -2.328  -1.457  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        4.787  -1.646  -1.359  0.00  0.00    +0.142 A 
ENDBRANCH  18  23
ENDBRANCH   1  16
TORSDOF 3