REMARK  Name = BDB025511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.200   0.464   0.738  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        1.546   0.366   0.323  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        2.692   0.773   1.023  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        3.765   0.429   0.239  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        5.230   0.597   0.395  0.00  0.00    +0.200 C 
ATOM      6  O   LIG    1        5.971  -0.187  -0.569  0.00  0.00    -0.375 OA
ATOM      7  C   LIG    1        5.450  -0.052  -1.905  0.00  0.00    +0.166 C 
ATOM      8  C   LIG    1        4.044  -0.666  -2.023  0.00  0.00    +0.085 C 
ATOM      9  C   LIG    1        3.204  -0.148  -0.913  0.00  0.00    +0.073 A 
ATOM     10  N   LIG    1        1.873  -0.182  -0.892  0.00  0.00    -0.167 NA
ATOM     11  O   LIG    1       -0.058   0.957   1.835  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -5.901  -0.446  -0.117  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -4.538  -0.751   0.445  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -3.364  -0.275  -0.184  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -3.487   0.482  -1.361  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.035   1.323  -1.183  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.280   0.729  -2.132  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -1.134   1.117  -1.222  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -0.822  -0.045  -0.271  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -2.101  -0.574   0.375  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -2.030  -1.405   1.506  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -3.191  -1.874   2.104  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -3.105  -2.653   3.190  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.438  -1.548   1.594  0.00  0.00    +0.043 A 
ENDBRANCH   1  19
BRANCH   3  25
ATOM     25  N   LIG    1        2.652   1.387   2.228  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        3.464   1.428   2.837  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        1.761   1.439   2.737  0.00  0.00    +0.144 HD
ENDBRANCH   3  25
TORSDOF 2