REMARK  Name = BDB019531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.551  -0.828   0.802  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -4.220  -0.435   0.725  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -3.160  -0.693  -0.272  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -2.027  -0.018   0.143  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -2.193   0.624   1.426  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -3.264  -1.387  -1.266  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.627   0.348   1.734  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.340   0.762   2.847  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.674   0.380   2.948  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.267  -0.403   1.942  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.778  -1.941  -1.394  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -6.294  -2.570  -1.992  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.797  -1.790  -1.626  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -6.316  -1.646  -0.181  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -7.445  -2.051   0.087  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1       -0.732  -0.115  -0.509  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.056  -1.332  -0.024  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.391  -1.493  -0.760  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.287  -0.335  -0.610  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1        3.359  -0.399  -1.627  0.00  0.00    +0.119 C 
ATOM     21  C   LIG    1        4.418   0.671  -1.468  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.603   1.327  -0.239  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        5.611   2.292  -0.108  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.449   2.585  -1.183  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.282   1.923  -2.397  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.675   1.037   0.911  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        5.274   0.969  -2.539  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.898  -0.274   0.729  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5