REMARK  Name = BDB006839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.091  -0.775   1.394  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.161  -1.341   1.583  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        1.345  -1.334   0.818  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.323  -2.101   1.469  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        3.597  -2.284   0.945  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        3.908  -1.667  -0.263  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        2.945  -0.874  -0.909  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        1.799  -2.711   2.730  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        1.652  -0.719  -0.383  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        0.417  -2.071   2.834  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -1.942  -0.877   2.287  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        3.254  -0.242  -2.212  0.00  0.00    +0.246 C 
ATOM     13  N   LIG    1        4.390   0.557  -2.327  0.00  0.00    -0.304 N 
ATOM     14  C   LIG    1        5.083   1.177  -1.206  0.00  0.00    +0.132 C 
ATOM     15  C   LIG    1        4.750   1.046  -3.647  0.00  0.00    +0.132 C 
ATOM     16  O   LIG    1        2.485  -0.471  -3.143  0.00  0.00    -0.270 OA
ENDBRANCH   7  12
BRANCH   1  17
ATOM     17  C   LIG    1       -1.381  -0.045   0.075  0.00  0.00    +0.181 C 
BRANCH  17  24
ATOM     18  C   LIG    1       -4.306   3.420  -0.349  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -4.558   2.102   0.387  0.00  0.00    +0.065 C 
ATOM     20  N   LIG    1       -5.386   1.238  -0.496  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.984   1.309  -1.433  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.217  -0.169  -0.092  0.00  0.00    +0.096 C 
ATOM     23  C   LIG    1       -3.752  -0.657  -0.242  0.00  0.00    +0.100 C 
ATOM     24  N   LIG    1       -2.764   0.430  -0.128  0.00  0.00    -0.291 NA
ATOM     25  C   LIG    1       -3.209   1.450   0.833  0.00  0.00    +0.103 C 
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 3