REMARK  Name = BDB014882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.999   3.638   0.844  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.499   3.581   0.719  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.912   2.327   0.605  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.437   2.312   0.581  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.927   0.999   0.108  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.390   0.563  -0.200  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.379  -0.719  -0.582  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.910  -1.101  -0.520  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -1.730  -0.101  -0.103  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.198  -0.125   0.081  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.601   1.069   0.974  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.839   4.622   0.710  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.462   1.389  -0.106  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.285   2.356   0.135  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.844   1.151  -0.284  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.392  -0.115  -0.518  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        4.775  -0.303  -0.699  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.623   0.810  -0.659  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        5.100   2.080  -0.431  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.725   2.245  -0.246  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.316  -1.684  -0.967  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        5.168  -2.061  -2.267  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        4.714  -2.653  -0.223  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        6.650  -1.796  -0.701  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1       -1.273  -2.460  -0.902  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.257  -3.395   0.273  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        0.022  -4.072   0.697  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -1.077  -4.877   0.058  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 5