REMARK  Name = BDB048382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.996   4.266   0.417  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.777   2.989   0.235  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.047   1.820   0.051  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.606   1.833  -0.263  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.002   0.493  -0.041  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.352   0.067  -0.095  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.438  -1.238   0.173  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.819  -1.645   0.410  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -1.730  -0.642   0.264  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.204  -0.664   0.416  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.795   0.587  -0.265  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.007   3.011   0.267  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.047  -3.064   0.785  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -2.015  -3.964   0.058  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -2.246  -3.625   1.505  0.00  0.00    +0.029 C 
ENDBRANCH   8  13
BRANCH   6  16
ATOM     16  N   LIG    1        1.364   0.922  -0.389  0.00  0.00    -0.298 N 
ATOM     17  H   LIG    1        1.126   1.889  -0.565  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.761   0.726  -0.499  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        3.396  -0.507  -0.307  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        4.790  -0.646  -0.421  0.00  0.00    -0.049 A 
ATOM     21  C   LIG    1        5.428  -1.992  -0.241  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        5.563   0.467  -0.759  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.955   1.704  -0.954  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.569   1.830  -0.823  0.00  0.00    +0.023 A 
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 3