REMARK  Name = BDB031241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.043  -0.319   0.108  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.749   0.846   0.054  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.118   0.695   0.030  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        2.731  -0.552   0.057  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1        4.106  -0.357   0.024  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        4.824  -1.064   0.033  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        4.365   1.020  -0.023  0.00  0.00    +0.325 A 
ATOM      8  O   LIG    1        5.457   1.556  -0.060  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        2.006  -1.712   0.108  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1        3.117   1.662  -0.018  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1        3.006   2.662  -0.046  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        0.607  -1.582   0.133  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1       -2.160  -2.442   0.596  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.373  -1.258   0.385  0.00  0.00    +0.220 C 
ATOM     15  N   LIG    1       -1.464  -0.217   0.132  0.00  0.00    -0.271 N 
ATOM     16  C   LIG    1       -2.157   1.047   0.026  0.00  0.00    +0.114 C 
ATOM     17  C   LIG    1       -3.587   0.665  -0.286  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1       -3.760  -0.658   0.431  0.00  0.00    +0.098 C 
ENDBRANCH   1  15
TORSDOF 1