REMARK  Name = BDB025489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.229   0.492  -0.989  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.574  -0.566  -0.120  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -1.818  -1.015   0.398  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1       -1.866  -2.087   0.999  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        0.561  -1.216   0.307  0.00  0.00    -0.165 NA
ATOM      6  C   LIG    1        1.571  -0.475  -0.140  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1        3.029  -0.736   0.143  0.00  0.00    +0.164 C 
ATOM      8  N   LIG    1        3.943   0.088  -0.704  0.00  0.00    -0.309 N 
ATOM      9  C   LIG    1        3.490   1.490  -0.866  0.00  0.00    +0.112 C 
ATOM     10  C   LIG    1        2.106   1.548  -1.562  0.00  0.00    +0.059 C 
ATOM     11  C   LIG    1        1.140   0.611  -0.924  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -3.001  -0.073   0.232  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -4.364  -0.752   0.398  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -5.403  -0.105   1.096  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.636  -0.759   1.254  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -6.874  -1.995   0.655  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -5.870  -2.592  -0.089  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -6.100  -3.771  -0.682  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -5.206   1.119   1.749  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -6.070   1.643   1.868  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -4.092   1.923   1.278  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -4.626  -1.986  -0.226  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -2.835   1.077   1.238  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   8  24
ATOM     24  C   LIG    1        5.294  -0.051  -0.344  0.00  0.00    +0.122 A 
ATOM     25  N   LIG    1        5.622  -0.727   0.777  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        6.929  -0.865   1.094  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        7.965  -0.361   0.331  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        7.636   0.318  -0.830  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.292   0.469  -1.172  0.00  0.00    +0.043 A 
ENDBRANCH   8  24
BRANCH   1  30
ATOM     30  N   LIG    1       -1.087   1.228  -1.748  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -1.781   0.715  -2.296  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -0.656   1.910  -2.374  0.00  0.00    +0.144 HD
ENDBRANCH   1  30
TORSDOF 3