REMARK  Name = BDB028238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.201   0.901  -0.403  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.874   0.416  -0.860  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.851  -0.409  -1.981  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.639  -0.900  -2.479  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.558  -0.568  -1.842  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.547   0.245  -0.702  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.119  -0.771  -2.634  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.143  -1.492  -3.624  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.260  -0.259  -2.065  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.145  -0.500  -2.501  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.672   0.740  -0.217  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -4.317   0.561  -0.981  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.792   0.591  -0.029  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        2.620  -0.296   0.641  0.00  0.00    -0.296 N 
ATOM     15  C   LIG    1        3.694   0.448   1.131  0.00  0.00    +0.174 A 
ATOM     16  C   LIG    1        4.689  -0.269   1.853  0.00  0.00    +0.167 A 
ATOM     17  C   LIG    1        4.575  -1.592   2.055  0.00  0.00    +0.063 A 
ATOM     18  C   LIG    1        3.433  -2.325   1.542  0.00  0.00    +0.060 A 
ATOM     19 CL   LIG    1        3.327  -4.013   1.835  0.00  0.00    -0.082 Cl
ATOM     20  F   LIG    1        5.753   0.404   2.337  0.00  0.00    -0.202 F 
ATOM     21  N   LIG    1        3.574   1.724   0.826  0.00  0.00    -0.233 NA
ATOM     22  C   LIG    1        2.486  -1.671   0.852  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        2.405   1.821   0.121  0.00  0.00    +0.140 A 
ENDBRANCH   6  13
BRANCH   1  24
ATOM     24  C   LIG    1       -3.297   1.834   0.801  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.139   1.051   2.028  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -3.305   1.660   2.829  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -3.890   0.356   2.060  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 3