REMARK  Name = BDB049916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.117  -0.172  -0.066  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.013   0.506   0.396  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -0.031   1.397   0.880  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.104  -0.245   0.132  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        0.608  -1.380  -0.493  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        1.498  -2.386  -0.896  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        2.865  -2.216  -0.645  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.341  -1.061  -0.013  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.466  -0.034   0.383  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.759  -1.319  -0.614  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        2.903   1.217   1.050  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        2.099   1.964   1.596  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.231   1.537   1.004  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.477   2.452   1.360  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.871   1.111   0.349  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -2.805   1.303  -1.142  0.00  0.00    +0.035 C 
ATOM     17  C   LIG    1       -2.507   0.398   0.061  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1       -3.549  -0.730   0.133  0.00  0.00    +0.035 C 
BRANCH  17  19
ATOM     19  N   LIG    1       -2.607   1.208   1.290  0.00  0.00    -0.319 NA
ATOM     20  H   LIG    1       -3.549   1.594   1.356  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -2.514   0.585   2.094  0.00  0.00    +0.119 HD
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3