REMARK  Name = BDB016271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.217  -1.212   0.196  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.550  -0.733   0.109  0.00  0.00    +0.150 A 
ATOM      3  O   LIG    1       -1.668   0.557  -0.334  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.861   0.882  -1.042  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.936   1.187  -0.026  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.656  -0.068   0.350  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -3.983  -1.226   0.568  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -4.621  -1.958   0.862  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -5.879  -0.064   0.515  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.544   2.121  -1.876  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -2.616  -1.562   0.509  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -2.331  -2.874   0.931  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -1.025  -3.354   0.992  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        0.028  -2.523   0.634  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  18
ATOM     15  N   LIG    1        2.894   0.589  -0.149  0.00  0.00    -0.268 N 
ATOM     16  N   LIG    1        2.342   1.020  -1.299  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        1.142   0.434  -1.312  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.924  -0.390  -0.186  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        2.086  -0.268   0.547  0.00  0.00    +0.117 A 
BRANCH  15  21
ATOM     20  C   LIG    1        5.219  -0.113   0.301  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        4.229   1.048   0.223  0.00  0.00    +0.101 C 
ATOM     22  C   LIG    1        4.202   1.849   1.524  0.00  0.00    +0.032 C 
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 2