REMARK  Name = BDB061780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.302  -1.760   0.379  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.037  -2.412  -0.820  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.033  -2.857  -1.599  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.276  -2.601  -1.238  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.332  -2.145  -0.443  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.084  -1.501   0.780  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        0.751  -1.318   1.187  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1       -4.919  -0.047  -0.337  0.00  0.00    +0.073 C 
ATOM      9  N   LIG    1       -4.451   1.124  -1.126  0.00  0.00    -0.299 NA
ATOM     10  C   LIG    1       -4.344   2.359  -0.349  0.00  0.00    +0.105 C 
ATOM     11  C   LIG    1       -3.157   0.779  -1.754  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1       -2.072   0.290  -0.776  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -2.551  -0.766   0.124  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1       -1.685  -1.586   0.849  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1       -2.000  -2.169   1.884  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1       -3.881  -0.548   0.701  0.00  0.00    +0.127 C 
BRANCH   8  18
ATOM     17  C   LIG    1       -7.404   0.496  -0.642  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -6.292   0.152   0.341  0.00  0.00    +0.017 C 
ENDBRANCH   8  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1        3.215  -0.995   1.654  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.871   0.189   1.101  0.00  0.00    -0.289 N 
ATOM     21  C   LIG    1        5.097   0.108   0.371  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        5.653   1.275  -0.170  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        6.850   1.252  -0.901  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        7.517   0.048  -1.098  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.988  -1.123  -0.565  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.967   2.559   0.034  0.00  0.00    +0.262 A 
ATOM     27  O   LIG    1        5.395   3.607  -0.435  0.00  0.00    -0.267 OA
ATOM     28  N   LIG    1        3.823   2.514   0.778  0.00  0.00    -0.274 N 
ATOM     29  H   LIG    1        3.344   3.388   0.927  0.00  0.00    +0.173 HD
ATOM     30  C   LIG    1        5.791  -1.094   0.163  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1        3.232   1.405   1.310  0.00  0.00    +0.330 A 
ATOM     32  O   LIG    1        2.181   1.533   1.937  0.00  0.00    -0.246 OA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4