REMARK  Name = BDB060334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.837  -1.024   2.278  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.397  -0.629   1.702  0.00  0.00    +0.134 A 
ATOM      3  C   LIG    1       -0.411  -0.062   0.376  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.712   0.218   0.064  0.00  0.00    +0.117 A 
ATOM      5  N   LIG    1       -2.427  -0.201   1.150  0.00  0.00    -0.267 N 
ATOM      6  C   LIG    1        0.674   0.163  -0.464  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        1.891  -0.246   0.121  0.00  0.00    +0.038 A 
ATOM      8  N   LIG    1       -1.665  -0.673   2.158  0.00  0.00    -0.167 NA
ATOM      9  C   LIG    1        1.955  -0.825   1.435  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -3.878  -0.161   1.320  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -4.397   1.276   1.485  0.00  0.00    +0.042 C 
ATOM     12  C   LIG    1       -5.192   1.731   0.263  0.00  0.00    +0.086 C 
ATOM     13  N   LIG    1       -6.342   0.859   0.001  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1       -6.896   1.124  -1.325  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1       -6.083  -0.571   0.207  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -4.602  -0.927   0.205  0.00  0.00    +0.042 C 
ENDBRANCH   5  10
BRANCH   7  17
ATOM     17  N   LIG    1        3.126  -0.113  -0.547  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1        3.960  -0.432  -0.061  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        3.370   0.416  -1.800  0.00  0.00    +0.267 C 
ATOM     20  O   LIG    1        2.548   0.861  -2.592  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.827   0.409  -2.164  0.00  0.00    +0.126 A 
ATOM     22  N   LIG    1        5.664  -0.227  -1.294  0.00  0.00    -0.238 NA
ATOM     23  C   LIG    1        6.988  -0.281  -1.626  0.00  0.00    +0.144 A 
ATOM     24  C   LIG    1        7.482   0.334  -2.782  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1        6.608   1.004  -3.632  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.252   1.030  -3.332  0.00  0.00    +0.033 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.954  -1.010  -0.698  0.00  0.00    +0.434 C 
ATOM     28  F   LIG    1        8.228  -0.308   0.438  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1        9.168  -1.256  -1.274  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1        7.492  -2.225  -0.286  0.00  0.00    -0.164 F 
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   7  17
BRANCH   1  32
ATOM     31  C   LIG    1        0.004  -1.518   4.433  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        1.088  -1.588   3.513  0.00  0.00    -0.493 OA
ENDBRANCH   1  32
TORSDOF 5