REMARK  Name = BDB056962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.910   1.486   0.468  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.703   0.614   0.266  0.00  0.00    -0.048 A 
ATOM      3  C   LIG    1       -3.437   1.201   0.100  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.350   0.336  -0.053  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -2.466  -1.047  -0.039  0.00  0.00    +0.089 A 
ATOM      6  N   LIG    1       -1.242  -1.642  -0.214  0.00  0.00    -0.227 NA
ATOM      7  C   LIG    1       -0.368  -0.660  -0.321  0.00  0.00    +0.150 A 
ATOM      8  C   LIG    1       -3.729  -1.626   0.141  0.00  0.00    +0.030 A 
ATOM      9  N   LIG    1       -1.011   0.558  -0.243  0.00  0.00    -0.337 N 
ATOM     10  H   LIG    1       -0.575   1.465  -0.330  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1       -4.838  -0.783   0.298  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.038  -0.703  -0.541  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1        1.849   0.064   0.219  0.00  0.00    +0.030 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.315   0.127   0.130  0.00  0.00    -0.024 A 
ATOM     15  C   LIG    1        3.964   0.529  -1.043  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        5.358   0.604  -1.086  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.111   0.286   0.043  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.471  -0.104   1.218  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.077  -0.180   1.264  0.00  0.00    +0.008 A 
ENDBRANCH  13  14
BRANCH  12  20
ATOM     20  C   LIG    1        1.544  -1.605  -1.530  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1        1.974  -2.299  -2.357  0.00  0.00    -0.191 NA
ENDBRANCH  12  20
ENDBRANCH   7  12
TORSDOF 3