REMARK  Name = BDB027820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.580   0.349   0.718  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1        1.231  -0.828   0.616  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.505  -1.920   0.329  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -0.889  -1.889   0.116  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.545  -3.116  -0.141  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -0.814  -4.290  -0.205  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.516  -4.341  -0.032  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -1.558  -0.629   0.190  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        1.125  -3.157   0.235  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -0.791   0.481   0.535  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.371   1.558   1.092  0.00  0.00    +0.205 C 
ATOM     12  O   LIG    1        0.799   2.553   1.542  0.00  0.00    -0.286 OA
BRANCH  11  14
ATOM     13  C   LIG    1        3.582   0.909   0.064  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1        2.852   1.602   0.948  0.00  0.00    +0.068 C 
BRANCH  13  16
ATOM     15  C   LIG    1        5.828   1.927   0.491  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        4.958   0.935  -0.143  0.00  0.00    -0.342 N 
ATOM     17  C   LIG    1        5.548   0.248  -1.294  0.00  0.00    +0.128 C 
ENDBRANCH  13  16
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  18
ATOM     18  N   LIG    1       -2.938  -0.581  -0.007  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -3.207  -1.181  -0.785  0.00  0.00    +0.147 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.874   0.549   0.143  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -3.872   1.111   1.571  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -5.286  -0.031  -0.112  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -3.622   1.633  -0.911  0.00  0.00    +0.031 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 5