REMARK  Name = BDB063322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.393  -0.373  -0.113  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.633  -1.272  -0.314  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        2.018  -0.830  -0.067  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        2.856  -1.836  -0.853  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1        2.081  -3.131  -0.696  0.00  0.00    +0.186 C 
ATOM      6  F   LIG    1        2.467  -3.729   0.464  0.00  0.00    -0.244 F 
ATOM      7  C   LIG    1        0.619  -2.704  -0.587  0.00  0.00    +0.145 C 
ATOM      8  O   LIG    1       -0.085   0.786   0.205  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -1.911  -0.715  -0.392  0.00  0.00    +0.072 C 
ATOM     10  C   LIG    1       -2.388  -2.082   0.175  0.00  0.00    +0.021 C 
ATOM     11  C   LIG    1       -3.830  -2.423  -0.218  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -3.970  -2.482  -1.736  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1       -3.485  -1.201  -2.404  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -2.080  -0.791  -1.942  0.00  0.00    +0.021 C 
BRANCH   9  19
ATOM     15  C   LIG    1       -4.241   2.518   1.524  0.00  0.00    +0.155 A 
ATOM     16  C   LIG    1       -3.704   1.466   2.264  0.00  0.00    +0.165 A 
ATOM     17  F   LIG    1       -3.885   1.417   3.593  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -2.969   0.447   1.656  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -2.760   0.428   0.263  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.273   1.516  -0.466  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -4.012   2.540   0.151  0.00  0.00    +0.049 A 
BRANCH  15  23
ATOM     22  C   LIG    1       -5.458   4.563   1.509  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.948   3.451   2.232  0.00  0.00    -0.492 OA
ENDBRANCH  15  23
ENDBRANCH   9  19
ENDBRANCH   1   9
BRANCH   3  24
ATOM     24  C   LIG    1        2.330  -0.858   1.448  0.00  0.00    +0.239 C 
ATOM     25  N   LIG    1        3.462  -0.291   1.956  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        3.510  -0.393   2.961  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1        1.582  -1.423   2.258  0.00  0.00    -0.273 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.479   0.429   1.325  0.00  0.00    +0.126 A 
ATOM     29  N   LIG    1        4.459   0.601  -0.007  0.00  0.00    -0.229 NA
ATOM     30  C   LIG    1        5.486   1.315  -0.522  0.00  0.00    +0.110 A 
ATOM     31  C   LIG    1        6.513   1.839   0.246  0.00  0.00    +0.084 A 
ATOM     32  N   LIG    1        7.335   2.479  -0.642  0.00  0.00    -0.275 N 
ATOM     33  H   LIG    1        8.191   2.984  -0.443  0.00  0.00    +0.189 HD
ATOM     34  N   LIG    1        6.925   2.404  -1.924  0.00  0.00    -0.180 NA
ATOM     35  C   LIG    1        6.552   1.664   1.624  0.00  0.00    +0.032 A 
ATOM     36  C   LIG    1        5.791   1.696  -1.842  0.00  0.00    +0.162 A 
ATOM     37  C   LIG    1        5.488   0.931   2.155  0.00  0.00    +0.046 A 
ENDBRANCH  25  28
ENDBRANCH   3  24
TORSDOF 5