REMARK  Name = BDB013170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.160   0.490   0.459  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.269   1.346  -0.240  0.00  0.00    +0.174 A 
ATOM      3  N   LIG    1       -0.933   1.032  -0.183  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.295   2.026  -0.865  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.177   2.862  -1.364  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.436  -0.085   0.496  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.255  -0.857   1.159  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.427   2.432  -0.970  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -2.600  -0.538   1.134  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -5.189  -1.333  -0.864  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1       -5.461  -0.172  -0.045  0.00  0.00    -0.267 N 
ATOM     12  C   LIG    1       -4.564   0.687   0.547  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1       -5.332   1.683   1.117  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -6.662   1.302   0.875  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1       -6.747   0.159   0.192  0.00  0.00    -0.179 NA
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1        0.911  -0.375   0.498  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.061  -1.091   1.210  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.545  -0.843  -0.734  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.988  -1.164  -0.473  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        3.932  -0.189  -0.161  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        3.795   1.285  -0.065  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1        5.136   1.619   0.589  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        6.070   0.550   0.320  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1        5.264  -0.524   0.047  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        5.722  -1.824  -0.041  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        4.793  -2.820  -0.337  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        3.448  -2.486  -0.548  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1        2.586  -3.471  -0.838  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4