REMARK  Name = BDB064704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.532  -0.451   0.130  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -3.164  -0.483  -0.191  0.00  0.00    +0.147 A 
ATOM      3  N   LIG    1       -2.357  -1.454  -0.753  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -1.160  -0.907  -0.802  0.00  0.00    +0.201 A 
ATOM      5  N   LIG    1       -1.164   0.373  -0.317  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -2.438   0.666   0.078  0.00  0.00    +0.165 A 
ATOM      7  N   LIG    1       -2.891   1.813   0.610  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -4.213   1.728   0.866  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1       -5.046   0.686   0.652  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -5.388  -1.524  -0.081  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1       -6.353  -1.233  -0.157  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -5.038  -2.190  -0.760  0.00  0.00    +0.144 HD
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1       -0.027   1.268  -0.252  0.00  0.00    +0.165 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.682   1.200   1.099  0.00  0.00    +0.250 C 
BRANCH  14  15
ATOM     15  O   LIG    1        1.349  -0.053   1.276  0.00  0.00    -0.490 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.579  -0.243   0.714  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        3.336   0.708   0.029  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        4.584   0.363  -0.502  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        5.075  -0.932  -0.347  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        6.760  -1.392  -1.066  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        4.329  -1.887   0.337  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        3.084  -1.538   0.866  0.00  0.00    +0.047 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 5