REMARK  Name = BDB012295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.069  -0.719   1.417  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1        1.452  -0.652   1.236  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1        2.012  -1.286   2.329  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.932  -1.702   3.112  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1       -0.242  -1.371   2.580  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.145  -0.032   0.113  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.522   1.317   0.175  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.200   1.904  -0.894  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        3.505   1.140  -2.015  0.00  0.00    +0.123 A 
ATOM     10  F   LIG    1        4.155   1.706  -3.041  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.147  -0.201  -2.088  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.468  -0.791  -1.020  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   1  15
ATOM     13  C   LIG    1       -3.309   0.099   0.123  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -2.300  -0.397   0.953  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1       -0.975  -0.212   0.569  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1       -0.642   0.431  -0.581  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1       -1.637   0.899  -1.363  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1       -2.975   0.760  -1.057  0.00  0.00    +0.035 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -5.672   0.354  -0.223  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -4.744  -0.052   0.453  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.949  -0.702   1.609  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -5.925  -0.731   1.703  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  15
TORSDOF 4