REMARK  Name = BDB064702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.524  -0.437   0.183  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -3.167  -0.420  -0.182  0.00  0.00    +0.147 A 
ATOM      3  N   LIG    1       -2.387  -1.288  -0.922  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -1.186  -0.745  -0.919  0.00  0.00    +0.201 A 
ATOM      5  N   LIG    1       -1.164   0.437  -0.230  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -2.423   0.666   0.249  0.00  0.00    +0.165 A 
ATOM      7  N   LIG    1       -2.849   1.711   0.977  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -4.163   1.590   1.257  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1       -5.012   0.601   0.901  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -5.396  -1.457  -0.175  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1       -6.360  -1.154  -0.171  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -5.072  -2.003  -0.966  0.00  0.00    +0.144 HD
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1       -0.018   1.306  -0.053  0.00  0.00    +0.165 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.730   1.013   1.245  0.00  0.00    +0.250 C 
BRANCH  14  15
ATOM     15  O   LIG    1        1.394  -0.252   1.193  0.00  0.00    -0.490 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.610  -0.347   0.579  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        3.351   0.704   0.035  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        4.586   0.449  -0.572  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        5.073  -0.851  -0.630  0.00  0.00    +0.124 A 
ATOM     20  F   LIG    1        6.255  -1.087  -1.212  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.350  -1.906  -0.092  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        3.118  -1.651   0.513  0.00  0.00    +0.048 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 5