REMARK  Name = BDB045973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.127  -1.301   1.722  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -4.002  -1.206   0.910  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -2.979  -0.156   0.770  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -2.091  -0.555  -0.222  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -2.369  -1.898  -0.690  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.932   0.869   1.423  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.627  -2.242   0.037  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.370  -3.406  -0.065  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -5.507  -3.518   0.729  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -5.874  -2.483   1.606  0.00  0.00    +0.136 A 
ATOM     11  F   LIG    1       -6.998  -2.666   2.315  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -0.822   0.140  -0.460  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -0.333   0.068  -1.915  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        1.195   0.139  -2.032  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        1.748   1.024  -1.010  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        1.533   0.520   0.352  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.270  -0.340   0.498  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.110   1.501  -1.312  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        3.578   2.637  -0.365  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        4.583   2.157   0.676  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1        5.821   1.560   0.018  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        6.770   2.522  -0.120  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        6.346   0.629   0.857  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        5.573   0.929  -1.346  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1        4.158   0.370  -1.444  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  29
ATOM     26  N   LIG    1       -5.307   1.032   2.478  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -4.478   1.303   1.950  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -5.523   1.644   3.254  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -5.590  -0.285   2.698  0.00  0.00    +0.245 C 
ATOM     30  O   LIG    1       -6.231  -0.602   3.693  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 3