REMARK  Name = BDB008007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103   1.151   1.582  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        0.122   2.486   1.248  0.00  0.00    +0.136 A 
ATOM      3  F   LIG    1        1.352   3.014   1.318  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.932   3.304   0.842  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.224   2.783   0.776  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.438   1.447   1.117  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -1.397   0.626   1.545  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        5.450  -0.726  -1.370  0.00  0.00    +0.215 C 
ATOM      9  N   LIG    1        4.375  -0.594  -0.502  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        3.020  -0.520  -1.058  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1        2.100   0.395  -0.237  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        2.066   0.037   1.189  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        0.996   0.287   2.041  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        0.899  -0.203   3.164  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        3.175  -0.775   1.690  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        4.493  -0.492   0.958  0.00  0.00    +0.126 C 
ATOM     17  O   LIG    1        5.296  -0.831  -2.587  0.00  0.00    -0.276 OA
BRANCH   8  19
ATOM     18  C   LIG    1        7.945  -0.740  -1.776  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        6.834  -0.738  -0.738  0.00  0.00    +0.092 C 
ENDBRANCH   8  19
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  O   LIG    1       -3.743   0.944   1.088  0.00  0.00    -0.436 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.078   0.249  -0.061  0.00  0.00    +0.246 A 
ATOM     22  C   LIG    1       -5.454  -0.263   0.021  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -5.915  -0.978  -1.082  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -7.212  -1.504  -1.092  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -8.046  -1.310   0.010  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -7.586  -0.596   1.117  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.020  -1.174  -2.238  0.00  0.00    +0.273 A 
ATOM     28  O   LIG    1       -5.385  -1.793  -3.230  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -3.762  -0.624  -2.135  0.00  0.00    -0.239 N 
ATOM     30  H   LIG    1       -3.133  -0.748  -2.923  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1       -6.291  -0.070   1.127  0.00  0.00    +0.014 A 
ATOM     32  N   LIG    1       -3.280   0.083  -1.071  0.00  0.00    -0.132 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4