REMARK  Name = BDB059729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.638   1.250  -0.441  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -6.490   1.063  -0.050  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1       -5.908  -0.287  -0.096  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -4.549  -0.599  -0.008  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -4.096  -1.914  -0.084  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -5.018  -2.952  -0.248  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1       -6.345  -2.682  -0.345  0.00  0.00    -0.260 NA
ATOM      8  N   LIG    1       -2.729  -1.965   0.023  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1       -2.315  -0.715   0.111  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -3.401   0.141   0.157  0.00  0.00    -0.321 N 
ATOM     11  C   LIG    1       -3.356   1.569   0.404  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -4.547   2.075   1.206  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -6.748  -1.387  -0.278  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1       -5.771   2.126   0.432  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -6.332   2.970   0.481  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1       -0.908  -0.316   0.190  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -0.061  -0.959   1.101  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.286  -0.601   1.199  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        1.817   0.400   0.375  0.00  0.00    -0.033 A 
ATOM     20  C   LIG    1        0.972   1.033  -0.548  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -0.375   0.671  -0.647  0.00  0.00    +0.012 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.276   0.797   0.484  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.000   0.717  -0.795  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1        5.306   1.389  -0.726  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        6.359   0.628   0.084  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        6.517  -0.802  -0.420  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        5.165  -1.502  -0.510  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        4.154  -0.660  -1.293  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   9  16
TORSDOF 3