REMARK  Name = BDB050173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.482   1.251   0.302  0.00  0.00    +0.014 C 
ATOM      2  C   LIG    1        0.032   0.397  -0.900  0.00  0.00    +0.128 C 
ATOM      3  N   LIG    1       -1.353  -0.021  -0.806  0.00  0.00    -0.316 N 
ATOM      4  C   LIG    1       -2.281   0.551   0.031  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -3.467  -0.094  -0.265  0.00  0.00    +0.067 A 
ATOM      6  N   LIG    1       -3.266  -1.019  -1.267  0.00  0.00    -0.219 NA
ATOM      7  C   LIG    1       -1.923   1.613   1.006  0.00  0.00    +0.055 C 
ATOM      8  C   LIG    1       -1.996  -0.954  -1.575  0.00  0.00    +0.193 A 
ATOM      9  C   LIG    1       -0.602   2.293   0.637  0.00  0.00    +0.012 C 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -4.826   0.099   0.335  0.00  0.00    +0.033 C 
ATOM     11  C   LIG    1       -5.815   0.643  -0.697  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -5.353  -1.197   0.953  0.00  0.00    +0.014 C 
ENDBRANCH   5  10
BRANCH   8  13
ATOM     13  N   LIG    1       -1.375  -1.683  -2.516  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -0.415  -1.967  -2.363  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -1.942  -2.450  -2.865  0.00  0.00    +0.145 HD
ENDBRANCH   8  13
BRANCH   1  16
ATOM     16  C   LIG    1        1.826   1.950   0.029  0.00  0.00    +0.043 C 
BRANCH  16  19
ATOM     17  C   LIG    1        4.642  -0.474   0.923  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.575   0.426   1.036  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        2.981   0.991  -0.102  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        3.476   0.629  -1.356  0.00  0.00    +0.127 A 
ATOM     21  F   LIG    1        2.917   1.131  -2.465  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        4.535  -0.264  -1.483  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        5.121  -0.817  -0.342  0.00  0.00    +0.048 A 
BRANCH  17  25
ATOM     24  C   LIG    1        6.211  -1.850   2.064  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.118  -0.941   2.117  0.00  0.00    -0.495 OA
ENDBRANCH  17  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5