REMARK  Name = BDB055861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.414   0.097   0.044  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1        0.744   0.072   1.378  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.088  -0.018   2.142  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.105   0.186   1.487  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1        2.559   0.300   0.176  0.00  0.00    +0.104 A 
ATOM      6  C   LIG    1        3.934   0.438  -0.045  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        4.737   0.453   1.088  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        4.287   0.329   2.364  0.00  0.00    -0.260 NA
ATOM      9  C   LIG    1        2.957   0.200   2.580  0.00  0.00    +0.138 A 
ATOM     10  N   LIG    1        1.495   0.220  -0.697  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -5.263  -0.389  -0.382  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1       -3.855  -0.282   0.006  0.00  0.00    -0.305 NA
ATOM     13  C   LIG    1       -3.088  -1.405  -0.549  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1       -1.633  -1.346  -0.085  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1       -0.994  -0.005  -0.460  0.00  0.00    +0.057 C 
ATOM     16  C   LIG    1       -1.857   1.162   0.031  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1       -3.302   1.006  -0.438  0.00  0.00    +0.085 C 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  C   LIG    1        4.505   0.587  -1.387  0.00  0.00    +0.245 C 
ATOM     19  O   LIG    1        4.029   1.330  -2.232  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        5.630  -0.150  -1.652  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        5.930  -0.143  -2.620  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        5.875  -0.961  -1.100  0.00  0.00    +0.145 HD
ENDBRANCH   6  18
TORSDOF 2