REMARK  Name = BDB061788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.495  -0.299  -0.124  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.384  -1.670  -0.329  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.673  -2.192  -0.968  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.379  -2.529   0.124  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.510  -2.011   0.762  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.665  -0.625   0.932  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.638   0.226   0.494  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -4.280   0.800  -0.715  0.00  0.00    +0.074 C 
ATOM      9  N   LIG    1       -4.687   0.222   0.594  0.00  0.00    -0.294 NA
ATOM     10  C   LIG    1       -3.591   0.145   1.572  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -2.272  -0.341   0.938  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -1.840   0.511  -0.175  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -0.530   0.639  -0.616  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.153   1.532  -1.373  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.854   1.413  -0.716  0.00  0.00    +0.127 C 
BRANCH   9  16
ATOM     16  C   LIG    1       -5.965   0.750   1.101  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -6.566  -0.178   2.164  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -5.892   2.184   1.639  0.00  0.00    +0.024 C 
ENDBRANCH   9  16
BRANCH   8  20
ATOM     19  C   LIG    1       -4.202   0.126  -3.196  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -4.446  -0.326  -1.762  0.00  0.00    +0.017 C 
ENDBRANCH   8  20
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1        3.895  -0.048   1.606  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1        5.158  -0.518   1.034  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1        5.653   0.003  -0.201  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        6.857  -0.486  -0.724  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        7.380  -0.010  -1.935  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.697   0.972  -2.645  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.501   1.473  -2.143  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.590  -1.523   0.016  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1        8.641  -1.998  -0.397  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1        7.027  -1.928   1.194  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1        7.515  -2.648   1.704  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1        4.984   0.996  -0.932  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1        5.847  -1.501   1.730  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1        5.452  -2.005   2.781  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5