REMARK  Name = BDB061774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.111   1.374   0.167  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.008   2.645   0.722  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.094   3.520   0.280  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.847   3.024   1.765  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.811   2.131   2.241  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.958   0.857   1.665  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -2.088   0.483   0.627  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.058   0.541  -0.566  0.00  0.00    -0.293 NA
ATOM      9  C   LIG    1        3.265   1.194   0.510  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1        3.879   1.032   1.905  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1        1.771   0.782   0.521  0.00  0.00    +0.126 C 
ATOM     12  N   LIG    1        1.131   0.937  -0.793  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -0.255   0.970  -0.960  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.820   0.659  -2.007  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.913   0.456  -1.934  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        3.398   0.854  -1.857  0.00  0.00    +0.104 C 
BRANCH   8  17
ATOM     17  C   LIG    1        4.252  -0.902  -0.365  0.00  0.00    +0.112 C 
BRANCH  17  20
ATOM     18  C   LIG    1        7.351  -2.371  -2.278  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        6.538  -1.717  -1.193  0.00  0.00    -0.078 C 
ATOM     20  C   LIG    1        5.217  -1.499  -1.356  0.00  0.00    -0.013 C 
ATOM     21  C   LIG    1        7.328  -1.322   0.025  0.00  0.00    +0.038 C 
ENDBRANCH  17  20
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1       -4.003  -0.100   2.208  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.699  -0.880   1.185  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -5.719  -0.294   0.373  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -6.366  -1.074  -0.593  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -7.373  -0.544  -1.411  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.747   0.788  -1.272  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.117   1.582  -0.318  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.979  -2.484  -0.750  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -6.524  -3.221  -1.563  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -4.981  -2.926   0.072  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -4.701  -3.889  -0.033  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -6.113   1.047   0.498  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -4.321  -2.205   1.025  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -3.436  -2.751   1.683  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 5