REMARK  Name = BDB058159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.977   2.462   0.271  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -5.505   1.062   0.411  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1       -4.624  -0.035   0.453  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -5.157  -1.324   0.587  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -4.213  -2.450   0.624  0.00  0.00    +0.260 A 
ATOM      6  N   LIG    1       -2.885  -2.117   0.556  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -2.253  -2.903   0.531  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -2.433  -0.825   0.421  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -4.587  -3.615   0.702  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -6.532  -1.546   0.677  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -7.384  -0.455   0.635  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -8.706  -0.647   0.721  0.00  0.00    -0.205 F 
ATOM     13  N   LIG    1       -3.238   0.188   0.359  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1       -6.889   0.840   0.504  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -0.961  -0.632   0.328  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -0.468   0.471  -0.368  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        0.913   0.679  -0.478  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.848  -0.192   0.105  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        1.322  -1.286   0.812  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -0.058  -1.508   0.931  0.00  0.00    +0.013 A 
BRANCH  18  21
ATOM     21  N   LIG    1        3.211   0.018  -0.012  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1        3.764   1.351  -0.313  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        5.189   1.513   0.268  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1        6.173   0.489  -0.141  0.00  0.00    -0.302 NA
ATOM     25  C   LIG    1        7.031   0.961  -1.224  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1        5.507  -0.776  -0.519  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        4.191  -1.051   0.245  0.00  0.00    +0.120 C 
ENDBRANCH  18  21
ENDBRANCH   8  15
TORSDOF 2