REMARK  Name = BDB025641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.164   0.099  -1.481  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.992  -0.009  -0.748  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.307  -0.099  -1.304  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.264  -0.224  -0.291  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.621  -0.325  -0.588  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -3.011  -0.281  -1.931  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.052  -0.158  -2.946  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.610  -0.276   1.053  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.692  -0.072  -2.635  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.833   0.105   0.714  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        2.199   0.070  -2.716  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1        3.613   1.033   0.460  0.00  0.00    -0.252 N 
ATOM     13  C   LIG    1        3.505   0.144  -0.750  0.00  0.00    +0.176 C 
ATOM     14  C   LIG    1        3.918  -1.243  -0.272  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        5.024  -0.920   0.696  0.00  0.00    +0.267 C 
ATOM     16  F   LIG    1        6.174  -0.679   0.026  0.00  0.00    -0.204 F 
ATOM     17  F   LIG    1        5.248  -1.941   1.546  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1        4.549   0.336   1.417  0.00  0.00    +0.192 C 
BRANCH  12  20
ATOM     19  N   LIG    1        3.510   3.524   0.299  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        3.557   2.371   0.366  0.00  0.00    +0.170 C 
ENDBRANCH  12  20
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -3.619  -0.462   0.447  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -4.595   0.458   0.926  0.00  0.00    +0.173 A 
ATOM     23  N   LIG    1       -5.337  -0.106   1.904  0.00  0.00    -0.169 NA
ATOM     24  N   LIG    1       -4.847  -1.350   2.023  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1       -5.271  -1.970   2.706  0.00  0.00    +0.188 HD
ATOM     26  C   LIG    1       -3.813  -1.612   1.177  0.00  0.00    +0.114 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.798   1.870   0.445  0.00  0.00    +0.437 C 
ATOM     28  F   LIG    1       -5.726   2.559   1.163  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -5.210   1.907  -0.852  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1       -3.648   2.596   0.508  0.00  0.00    -0.164 F 
ENDBRANCH  22  27
ENDBRANCH   5  21
TORSDOF 4