REMARK  Name = BDB027813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.021  -0.088   0.018  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1        2.414  -1.366  -0.177  0.00  0.00    -0.245 NA
ATOM      3  C   LIG    1        1.485  -2.339  -0.178  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.114  -2.098   0.031  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -0.775  -3.196  -0.037  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -0.281  -4.467  -0.277  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.023  -4.729  -0.454  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.292  -0.759   0.285  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        1.856  -3.656  -0.403  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        0.685   0.241   0.230  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        5.216   1.698  -0.875  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1        5.188   2.825  -0.136  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1        4.119   2.989   0.668  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        3.072   2.083   0.758  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        3.101   0.920  -0.024  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        4.218   0.737  -0.852  0.00  0.00    +0.030 A 
ENDBRANCH   1  15
BRANCH   8  17
ATOM     17  N   LIG    1       -1.657  -0.470   0.478  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -2.092  -1.186   1.056  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.135   0.876   0.806  0.00  0.00    +0.070 C 
ATOM     20  C   LIG    1       -3.571   0.806   1.335  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -4.443   0.662   0.092  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -3.645   1.279  -1.054  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -2.311   1.722  -0.455  0.00  0.00    +0.022 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
TORSDOF 3