REMARK  Name = BDB016972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.025  -0.918   0.034  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        0.229  -0.730   0.550  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.071  -0.704  -0.546  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.340  -0.871  -1.705  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.911  -0.991  -1.323  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.520  -0.534  -0.512  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.216  -1.054  -1.556  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.558  -0.933  -1.558  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.266  -0.287  -0.565  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.535   0.265   0.484  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.148   0.130   0.531  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.203   0.974   1.594  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        4.874   0.839   2.758  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.177   1.809   1.178  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.208   1.958   0.214  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -2.248  -1.078   0.795  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.117   0.190   0.834  0.00  0.00    +0.105 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.269   1.905  -0.413  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1       -3.772   0.526  -0.446  0.00  0.00    -0.307 NA
ATOM     20  C   LIG    1       -4.875  -0.386  -0.757  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6