REMARK  Name = BDB008862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.050   0.039  -0.220  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.122   0.518  -1.516  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.154   1.316  -1.826  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.776   0.168  -2.519  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.870  -0.647  -2.220  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.086  -1.103  -0.910  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.159  -0.761   0.086  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.345   0.910   1.880  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.861   0.432   0.870  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.234   0.248   0.727  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.084   0.644   1.855  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.530   0.966   1.434  0.00  0.00    +0.124 C 
ATOM     13  N   LIG    1        5.096  -0.139   0.618  0.00  0.00    -0.325 N 
ATOM     14  C   LIG    1        4.263  -0.426  -0.571  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        2.828  -0.782  -0.141  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.489  -0.026   0.422  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        7.125   0.141  -0.824  0.00  0.00    +0.144 A 
ATOM     18  F   LIG    1        6.412   0.239  -1.958  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1        8.514   0.233  -0.943  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        9.317   0.151   0.190  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        8.726  -0.028   1.435  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        7.333  -0.118   1.546  0.00  0.00    +0.026 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.275  -1.977  -0.573  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.609  -1.398  -1.036  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -5.324  -0.405  -0.175  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.734   0.058   1.128  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.441   1.282   1.719  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.955   1.156   1.601  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -7.378   1.003   0.139  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -6.511   0.041  -0.625  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -7.033  -0.425  -1.934  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -8.103  -0.026  -2.383  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.249  -1.322  -2.607  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.592  -1.656  -3.501  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -5.058  -1.820  -2.182  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4