REMARK  Name = BDB007831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.078   0.679  -0.326  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1        0.858   0.033   0.559  0.00  0.00    -0.215 NA
ATOM      3  C   LIG    1        2.187   0.051   0.370  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1        2.971  -0.548   1.351  0.00  0.00    -0.317 N 
ATOM      5  H   LIG    1        2.387  -1.129   1.944  0.00  0.00    +0.148 HD
ATOM      6  C   LIG    1        4.270  -1.067   0.916  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1        4.977  -0.142  -0.101  0.00  0.00    +0.237 C 
ATOM      8  N   LIG    1        4.173   0.643  -0.896  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        4.630   1.179  -1.619  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        6.196  -0.155  -0.276  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1        4.111  -2.463   0.322  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        2.785   0.698  -0.718  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        1.982   1.383  -1.617  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        0.603   1.373  -1.416  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -2.043  -0.004   0.768  0.00  0.00    +0.235 C 
ATOM     16  N   LIG    1       -1.308   0.692  -0.174  0.00  0.00    -0.269 N 
ATOM     17  H   LIG    1       -1.877   1.183  -0.857  0.00  0.00    +0.156 HD
ATOM     18  O   LIG    1       -1.617  -0.771   1.624  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1       -3.552   0.352   0.659  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1       -4.409  -0.764   1.252  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1       -5.123   1.375  -0.909  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -3.879   0.626  -0.770  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -3.979  -0.272  -1.250  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH   1  16
TORSDOF 3