REMARK  Name = BDB013237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.660  -0.078  -0.424  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.311   1.020  -1.002  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        2.678   1.188  -0.996  0.00  0.00    +0.191 A 
ATOM      4  N   LIG    1        2.960   2.311  -1.628  0.00  0.00    -0.127 NA
ATOM      5  N   LIG    1        1.780   2.893  -2.034  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.456   0.182  -0.349  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        2.748  -0.835   0.195  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1        0.802   2.112  -1.642  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.377  -0.989   0.175  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1        4.872   0.279  -0.297  0.00  0.00    -0.235 N 
ATOM     11  N   LIG    1        5.630   1.286  -0.831  0.00  0.00    -0.175 NA
ATOM     12  C   LIG    1        6.897   0.991  -0.561  0.00  0.00    +0.135 A 
ATOM     13  C   LIG    1        7.029  -0.201   0.148  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        5.739  -0.640   0.308  0.00  0.00    +0.114 A 
ENDBRANCH   6  10
BRANCH   1  15
ATOM     15  N   LIG    1       -0.715  -0.160  -0.497  0.00  0.00    -0.310 N 
ATOM     16  H   LIG    1       -1.173   0.322  -1.264  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -1.414  -1.372  -0.102  0.00  0.00    +0.143 C 
BRANCH  17  20
ATOM     18  F   LIG    1       -3.260  -2.357  -2.017  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -3.754  -1.607  -1.022  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1       -2.889  -1.099  -0.044  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.462  -0.317   0.955  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -2.826   0.418   2.076  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -4.077   0.769   2.882  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -5.226   0.747   2.003  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -4.826  -0.055   0.967  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.679  -0.547  -0.000  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.130  -1.340  -1.008  0.00  0.00    +0.042 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4