REMARK  Name = BDB000739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.339  -0.607   0.526  0.00  0.00    -0.271 N 
ATOM      2  C   LIG    1       -1.964  -0.374   0.394  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -1.731   1.003   0.322  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1       -0.445   1.521   0.189  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1        0.611   0.597   0.128  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        0.343  -0.772   0.200  0.00  0.00    +0.068 A 
ATOM      7  N   LIG    1        1.580  -1.355   0.109  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        1.803  -2.339   0.123  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1        2.517  -0.363  -0.009  0.00  0.00    +0.159 A 
ATOM     10  N   LIG    1        1.959   0.830  -0.001  0.00  0.00    -0.226 NA
ATOM     11  C   LIG    1       -3.046   1.747   0.404  0.00  0.00    +0.069 C 
ATOM     12  C   LIG    1       -3.126   2.615   1.660  0.00  0.00    +0.025 C 
ATOM     13  C   LIG    1       -3.321   2.559  -0.861  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -0.942  -1.313   0.334  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -4.064   0.589   0.510  0.00  0.00    +0.230 C 
ATOM     16  O   LIG    1       -5.280   0.706   0.566  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        4.038  -0.664  -0.135  0.00  0.00    +0.128 A 
ATOM     18  N   LIG    1        4.514  -1.917  -0.134  0.00  0.00    -0.171 NA
ATOM     19  N   LIG    1        5.843  -1.746  -0.259  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        6.434  -2.571  -0.283  0.00  0.00    +0.189 HD
ATOM     21  C   LIG    1        6.227  -0.435  -0.339  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        7.642  -0.030  -0.480  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1        5.062   0.295  -0.260  0.00  0.00    +0.055 A 
ENDBRANCH   9  17
BRANCH   1  25
ATOM     24  C   LIG    1       -4.223  -2.461  -0.826  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -3.959  -1.911   0.566  0.00  0.00    +0.110 C 
ENDBRANCH   1  25
TORSDOF 2