REMARK  Name = BDB001087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.383   0.574   2.502  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -0.065   0.166   2.249  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        0.964   1.114   2.190  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.700   2.459   2.415  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        1.676   3.375   2.359  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.599   2.875   2.686  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -1.635   1.937   2.732  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.342   0.674   1.927  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        2.677   0.325   0.626  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        1.806   0.521  -0.542  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.592   0.553  -1.865  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        3.455  -0.621  -2.095  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1        4.217  -0.342  -2.712  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        4.006  -1.168  -0.843  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        4.011  -0.203   0.355  0.00  0.00    +0.123 C 
ATOM     16  O   LIG    1        3.107   0.588   2.883  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1       -2.515  -0.429   2.574  0.00  0.00    +0.076 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.635  -1.333   1.342  0.00  0.00    +0.233 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.994  -0.532   0.204  0.00  0.00    -0.491 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -1.876  -0.263  -1.908  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1       -2.570  -1.068  -0.988  0.00  0.00    +0.133 A 
ATOM     22  C   LIG    1       -2.855  -2.403  -1.309  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -2.404  -2.953  -2.510  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -1.677  -2.172  -3.404  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -1.417  -0.834  -3.106  0.00  0.00    +0.017 A 
BRANCH  20  29
ATOM     26  N   LIG    1       -2.283   1.861  -0.760  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -2.909   1.373  -0.130  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -2.002   2.805  -0.538  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -1.558   1.178  -1.690  0.00  0.00    +0.245 C 
ATOM     30  O   LIG    1       -0.676   1.744  -2.327  0.00  0.00    -0.270 OA
ENDBRANCH  20  29
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6