REMARK  Name = BDB025513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.814  -1.666  -0.598  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.904  -0.689  -0.168  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.503  -0.788  -0.105  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1        1.047  -1.847  -0.413  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1       -1.553   0.453   0.237  0.00  0.00    -0.165 NA
ATOM      6  C   LIG    1       -2.844   0.182   0.040  0.00  0.00    +0.094 A 
ATOM      7  C   LIG    1       -3.971   1.115   0.346  0.00  0.00    +0.217 C 
ATOM      8  O   LIG    1       -5.228   0.663  -0.219  0.00  0.00    -0.373 OA
ATOM      9  C   LIG    1       -5.456  -0.742   0.005  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1       -4.431  -1.609  -0.753  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -3.062  -1.116  -0.462  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        1.212   0.467   0.386  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        2.619   0.624  -0.187  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        3.684   1.038   0.638  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.975   1.138   0.095  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.198   0.923  -1.265  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.132   0.585  -2.083  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        4.338   0.392  -3.392  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1        3.520   1.228   2.018  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        4.204   1.876   2.402  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        2.161   1.491   2.462  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        2.851   0.438  -1.562  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        1.234   0.420   1.921  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   1  24
ATOM     24  N   LIG    1       -1.445  -2.882  -1.053  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -0.466  -3.182  -1.006  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -2.107  -3.630  -1.234  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
TORSDOF 2