REMARK  Name = BDB059669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.294   1.293  -0.272  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1       -1.700   1.742  -0.562  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -2.039   2.912  -0.685  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -2.629   0.696  -0.703  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.320  -0.650  -0.620  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -3.495  -1.335  -0.810  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.464  -0.335  -1.009  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -1.034  -0.996  -0.390  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.730  -1.966  -0.290  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -3.954   0.899  -0.952  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.049  -0.037  -0.216  0.00  0.00    +0.057 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.302  -0.564   0.044  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        1.819  -0.586   1.345  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.098  -1.092   1.584  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.864  -1.581   0.527  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.354  -1.567  -0.771  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.076  -1.061  -1.013  0.00  0.00    +0.010 A 
ENDBRANCH  11  12
BRANCH   6  18
ATOM     18  C   LIG    1       -3.682  -2.743  -0.810  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1       -3.824  -3.894  -0.809  0.00  0.00    -0.191 NA
ENDBRANCH   6  18
BRANCH   1  20
ATOM     20  C   LIG    1        0.710   2.401  -0.116  0.00  0.00    +0.131 C 
BRANCH  20  22
ATOM     21  C   LIG    1        0.691   3.324   2.393  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        0.699   2.906   1.266  0.00  0.00    -0.101 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4