REMARK  Name = BDB025512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.250  -0.996  -0.533  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        1.598  -0.673  -0.222  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        2.183   0.257   0.670  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        3.522   0.303   0.352  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        4.660   1.116   0.850  0.00  0.00    +0.200 C 
ATOM      6  O   LIG    1        5.938   0.545   0.492  0.00  0.00    -0.375 OA
ATOM      7  C   LIG    1        5.996   0.146  -0.892  0.00  0.00    +0.166 C 
ATOM      8  C   LIG    1        5.039  -1.023  -1.177  0.00  0.00    +0.085 C 
ATOM      9  C   LIG    1        3.704  -0.691  -0.619  0.00  0.00    +0.073 A 
ATOM     10  N   LIG    1        2.580  -1.318  -0.940  0.00  0.00    -0.167 NA
ATOM     11  O   LIG    1        0.017  -1.947  -1.278  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -5.880   0.321  -0.483  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -4.645  -0.480  -0.167  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -3.356   0.102  -0.229  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -3.244   1.464  -0.546  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -3.732   1.681  -1.412  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -1.949   2.107  -0.416  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -0.836   1.187  -0.867  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -0.820  -0.067   0.017  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -2.220  -0.682   0.079  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -2.397  -2.012   0.499  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -3.669  -2.566   0.556  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -3.818  -3.838   0.948  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.787  -1.819   0.220  0.00  0.00    +0.043 A 
ENDBRANCH   1  19
BRANCH   3  25
ATOM     25  N   LIG    1        1.536   0.959   1.641  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        2.115   1.559   2.232  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        0.922   0.434   2.268  0.00  0.00    +0.144 HD
ENDBRANCH   3  25
TORSDOF 2