REMARK  Name = BDB062820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.560   0.054   0.557  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.550  -0.666  -0.776  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1       -0.265  -0.701  -1.292  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -0.141  -1.335  -2.514  0.00  0.00    +0.141 A 
ATOM      5  N   LIG    1       -1.186  -1.925  -3.123  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -2.377  -1.847  -2.500  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.667  -0.022  -0.485  0.00  0.00    -0.295 N 
ATOM      8  N   LIG    1       -2.631  -1.231  -1.337  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1       -0.144   0.714   0.505  0.00  0.00    +0.124 C 
ATOM     10  C   LIG    1       -1.620  -0.968   1.698  0.00  0.00    +0.019 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        2.058  -0.076  -0.359  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        2.779   1.048   0.099  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        4.173   0.974   0.225  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1        4.813  -0.208  -0.100  0.00  0.00    +0.157 A 
ATOM     15  O   LIG    1        6.150  -0.027   0.105  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        6.237   1.265   0.532  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        4.171  -1.350  -0.546  0.00  0.00    +0.050 A 
ATOM     18  N   LIG    1        5.096   1.904   0.635  0.00  0.00    -0.196 NA
ATOM     19  C   LIG    1        2.775  -1.250  -0.663  0.00  0.00    +0.027 A 
BRANCH  16  20
ATOM     20  N   LIG    1        7.462   1.709   0.818  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        7.498   2.514   1.431  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        8.154   1.001   1.029  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   7  11
BRANCH   4  23
ATOM     23  N   LIG    1        1.066  -1.414  -3.206  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        1.521  -0.507  -3.248  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1        0.883  -1.816  -4.119  0.00  0.00    +0.144 HD
ENDBRANCH   4  23
BRANCH   1  26
ATOM     26  C   LIG    1       -2.644   1.159   0.643  0.00  0.00    +0.017 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.065   1.610   0.090  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -4.104   0.693   0.855  0.00  0.00    -0.016 C 
ATOM     29  C   LIG    1       -4.495   0.697   2.337  0.00  0.00    +0.007 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 5