REMARK  Name = BDB031307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.437   0.725   0.564  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1       -0.935   0.971   0.632  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.091   2.352   0.743  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.206   2.856   0.729  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.424   4.240   0.819  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -0.676   5.098   0.897  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.972   4.587   0.870  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.206   3.210   0.781  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        1.125   1.857   0.605  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -1.993   0.018   0.540  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -1.893  -1.052  -0.366  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.958  -1.922  -0.414  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.087  -1.768   0.387  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -4.965  -2.805   0.095  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.864  -2.982   0.510  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -4.389  -3.618  -0.892  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -4.877  -4.619  -1.385  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -4.212  -0.738   1.286  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -3.144  -3.053  -1.202  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -2.504  -3.443  -1.873  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -3.145   0.167   1.359  0.00  0.00    +0.028 A 
ENDBRANCH   2  10
BRANCH   1  23
ATOM     22  O   LIG    1        0.579  -1.538   1.200  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        1.086  -0.584   0.607  0.00  0.00    +0.283 C 
ATOM     24  N   LIG    1        2.320  -0.741  -0.045  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1        2.916   0.267  -0.927  0.00  0.00    +0.108 C 
ATOM     26  C   LIG    1        3.868  -0.356  -1.944  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        4.983  -1.157  -1.274  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1        4.557  -1.780   0.054  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        3.050  -1.993   0.134  0.00  0.00    +0.108 C 
ENDBRANCH   1  23
TORSDOF 2