REMARK  Name = BDB026382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.973   2.428   1.851  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.289   1.469   1.034  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.908   0.484   0.253  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -0.907  -0.296  -0.328  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.218  -1.375  -1.126  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -2.576  -1.643  -1.346  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -3.592  -0.822  -0.809  0.00  0.00    +0.027 A 
ATOM      8  N   LIG    1        0.334   0.218   0.083  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -3.250   0.231   0.047  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        0.107   1.302   0.962  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        0.957   1.956   1.544  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.635  -0.336  -0.226  0.00  0.00    +0.179 C 
ATOM     13  C   LIG    1        2.216  -1.048   1.004  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        1.535  -1.632   1.845  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.591  -1.110   1.069  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.969  -1.608   1.863  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.503  -0.669   0.144  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.700  -0.908   0.270  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        3.947   0.037  -1.070  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1        2.618   0.707  -0.759  0.00  0.00    +0.044 C 
ENDBRANCH   8  12
BRANCH   7  21
ATOM     21  N   LIG    1       -4.935  -1.196  -0.956  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1       -5.128  -1.738  -1.793  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -5.596  -0.438  -0.825  0.00  0.00    +0.142 HD
ENDBRANCH   7  21
TORSDOF 2