REMARK  Name = BDB014792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.467   0.420  -0.211  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.851   1.224  -0.689  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.473   2.123  -1.988  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.958   1.313  -0.810  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.999   0.632  -0.070  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.553   0.906  -0.213  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.743  -0.182   0.394  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.340  -0.416   0.405  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.061  -1.530   1.092  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.248  -2.008   1.499  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.288  -3.232   2.261  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.286  -1.219   1.122  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.731  -1.401   1.392  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.444  -0.052   1.163  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -7.161   1.268  -0.550  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.941   0.387  -0.328  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.582   1.415  -1.038  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.975   1.443  -1.190  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.773   0.441  -0.630  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.143  -0.587   0.078  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.748  -0.610   0.225  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.216   0.474  -0.794  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        6.132  -0.068   0.083  0.00  0.00    +0.122 A 
ATOM     24  N   LIG    1        7.375   0.192  -0.432  0.00  0.00    -0.211 N 
ATOM     25  N   LIG    1        7.328   0.879  -1.600  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1        6.019   1.046  -1.810  0.00  0.00    +0.143 A 
BRANCH  24  27
ATOM     27  C   LIG    1        8.649  -0.197   0.162  0.00  0.00    +0.464 C 
ATOM     28  F   LIG    1        8.806   0.360   1.394  0.00  0.00    -0.183 F 
ATOM     29  F   LIG    1        8.718  -1.545   0.337  0.00  0.00    -0.183 F 
ENDBRANCH  24  27
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 4