REMARK  Name = BDB061789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.601   0.130  -0.996  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.821  -0.333  -2.288  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.037   0.056  -3.303  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.857  -1.224  -2.543  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.696  -1.632  -1.502  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.518  -1.136  -0.199  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.450  -0.259   0.048  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -3.932   0.984   0.489  0.00  0.00    +0.074 C 
ATOM      9  N   LIG    1       -4.556  -0.225  -0.109  0.00  0.00    -0.294 NA
ATOM     10  C   LIG    1       -3.745  -0.819  -1.197  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -2.223  -0.697  -1.010  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -1.792   0.689  -0.793  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -0.468   1.099  -0.709  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.116   2.221  -0.349  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.851   1.632  -0.422  0.00  0.00    +0.127 C 
BRANCH   9  16
ATOM     16  C   LIG    1       -5.968  -0.075  -0.531  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -6.906   0.002   0.679  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -6.255   1.096  -1.484  0.00  0.00    +0.024 C 
ENDBRANCH   9  16
BRANCH   8  20
ATOM     19  C   LIG    1       -4.286   0.153   2.910  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -3.297   0.644   1.863  0.00  0.00    +0.017 C 
ENDBRANCH   8  20
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1        3.430  -1.560   0.936  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.855  -1.397   0.641  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1        5.480  -0.111   0.688  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        6.841   0.006   0.382  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        7.497   1.245   0.407  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.790   2.395   0.742  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.437   2.301   1.051  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.601  -1.202   0.027  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1        8.791  -1.160  -0.263  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1        6.901  -2.374   0.036  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1        7.409  -3.207  -0.217  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1        4.787   1.060   1.026  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1        5.571  -2.535   0.301  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1        5.078  -3.659   0.216  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5