REMARK  Name = BDB056601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.415  -0.036   0.323  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.338  -1.379   0.449  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        0.866  -2.004   0.474  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        2.049  -1.268   0.381  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        1.956   0.115   0.264  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        3.238   0.607   0.199  0.00  0.00    -0.352 N 
ATOM      7  H   LIG    1        3.484   1.583   0.116  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        4.149  -0.419   0.264  0.00  0.00    +0.085 A 
ATOM      9  C   LIG    1        3.435  -1.595   0.378  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        0.724   0.768   0.234  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.553  -0.179   0.214  0.00  0.00    +0.171 A 
ATOM     12  O   LIG    1        6.098   1.079   0.097  0.00  0.00    -0.441 OA
ATOM     13  C   LIG    1        7.441   0.868   0.086  0.00  0.00    +0.308 A 
ATOM     14  N   LIG    1        7.812  -0.386   0.182  0.00  0.00    -0.224 NA
ATOM     15  C   LIG    1        6.618  -1.059   0.265  0.00  0.00    +0.162 A 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.665   0.625   0.304  0.00  0.00    -0.297 N 
ATOM     17  H   LIG    1       -1.705   1.293  -0.463  0.00  0.00    +0.154 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -4.062   0.710  -0.131  0.00  0.00    +0.141 A 
ATOM     19  C   LIG    1       -2.962   0.083   0.500  0.00  0.00    +0.075 A 
ATOM     20  C   LIG    1       -3.204  -0.983   1.375  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -4.501  -1.452   1.589  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.575  -0.846   0.944  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.360   0.236   0.088  0.00  0.00    +0.047 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -4.814   2.442  -1.589  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.736   1.769  -0.950  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 4