REMARK  Name = BDB064705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.527  -0.409  -0.188  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -3.145  -0.383  -0.438  0.00  0.00    +0.147 A 
ATOM      3  N   LIG    1       -2.306  -1.220  -1.148  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -1.109  -0.684  -1.021  0.00  0.00    +0.201 A 
ATOM      5  N   LIG    1       -1.144   0.467  -0.281  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -2.438   0.680   0.101  0.00  0.00    +0.165 A 
ATOM      7  N   LIG    1       -2.922   1.694   0.837  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -4.255   1.567   1.001  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1       -5.073   0.598   0.532  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -5.367  -1.409  -0.662  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1       -6.328  -1.102  -0.725  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -4.979  -1.921  -1.446  0.00  0.00    +0.144 HD
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1       -0.015   1.321   0.029  0.00  0.00    +0.165 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.624   0.967   1.369  0.00  0.00    +0.250 C 
BRANCH  14  15
ATOM     15  O   LIG    1        1.286  -0.299   1.315  0.00  0.00    -0.490 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.540  -0.379   0.782  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        3.329   0.688   0.351  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        4.601   0.451  -0.184  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        5.084  -0.852  -0.287  0.00  0.00    +0.014 A 
ATOM     20  I   LIG    1        6.972  -1.197  -1.082  0.00  0.00    -0.044 I 
ATOM     21  C   LIG    1        4.306  -1.923   0.144  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1        3.038  -1.681   0.677  0.00  0.00    +0.046 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 5