REMARK  Name = BDB016938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.292  -0.430  -1.394  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -0.548  -0.890  -2.670  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.840  -0.992  -3.307  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        0.634  -1.260  -3.240  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        1.640  -1.078  -2.420  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.087  -0.565  -1.257  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.471   1.443   2.127  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -3.386   0.955   1.212  0.00  0.00    -0.009 A 
ATOM      9  C   LIG    1       -2.786  -0.293   1.410  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -1.773  -0.750   0.567  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -1.334   0.051  -0.492  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.915   1.308  -0.689  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.934   1.756   0.156  0.00  0.00    +0.007 A 
BRANCH   9  14
ATOM     14  O   LIG    1       -3.211  -1.067   2.455  0.00  0.00    -0.506 OA
ATOM     15  H   LIG    1       -2.624  -1.838   2.520  0.00  0.00    +0.292 HD
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   6  16
ATOM     16  C   LIG    1        1.909  -0.224  -0.095  0.00  0.00    +0.092 A 
ATOM     17  N   LIG    1        1.279   0.174   1.038  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1        2.035   0.495   2.108  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        3.413   0.432   2.115  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        4.050   0.015   0.948  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        3.293  -0.319  -0.175  0.00  0.00    +0.045 A 
BRANCH  20  22
ATOM     22  C   LIG    1        5.528  -0.056   0.949  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        6.249   0.215   1.891  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.034  -0.461  -0.228  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        7.004  -0.461  -0.087  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   6  16
TORSDOF 5