REMARK  Name = BDB059709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.194  -0.739   0.237  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -1.862  -1.660   0.999  0.00  0.00    -0.342 N 
ATOM      3  H   LIG    1       -1.432  -2.370   1.573  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.211  -1.448   0.851  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.310  -0.366  -0.028  0.00  0.00    +0.104 A 
ATOM      6  C   LIG    1       -4.588   0.112  -0.394  0.00  0.00    +0.099 A 
ATOM      7  C   LIG    1       -5.698  -0.544   0.163  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -5.567  -1.623   1.040  0.00  0.00    +0.041 A 
ATOM      9  F   LIG    1       -6.949  -0.152  -0.134  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.311  -2.102   1.406  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1       -2.044   0.049  -0.384  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.964  -0.010  -0.121  0.00  0.00    -0.302 NA
ATOM     13  C   LIG    1        2.325  -0.565  -1.331  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1        0.792  -0.581  -1.273  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1        0.300  -0.680   0.171  0.00  0.00    +0.057 C 
ATOM     16  C   LIG    1        0.840   0.497   1.001  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1        2.147   1.069   0.440  0.00  0.00    +0.085 C 
BRANCH  12  18
ATOM     18  C   LIG    1        4.341   0.409  -0.427  0.00  0.00    +0.084 C 
BRANCH  18  20
ATOM     19  C   LIG    1        6.639   0.914   0.481  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.192   0.599   0.835  0.00  0.00    +0.012 C 
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  C   LIG    1       -4.726   1.258  -1.330  0.00  0.00    +0.246 C 
ATOM     22  O   LIG    1       -3.779   1.802  -1.882  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -5.988   1.725  -1.586  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -6.074   2.493  -2.239  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -6.827   1.313  -1.198  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 4