REMARK  Name = BDB028847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.761   2.679   1.022  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.335   1.401   0.473  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1        2.315   0.457   0.049  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1        1.893  -0.793  -0.419  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        2.834  -1.752  -0.822  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        4.197  -1.472  -0.762  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.626  -0.231  -0.303  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.469  -1.091  -0.515  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -0.478  -0.215  -0.141  0.00  0.00    +0.103 A 
ATOM     10  C   LIG    1        3.692   0.728   0.101  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -0.026   1.098   0.485  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -0.856   1.847   1.006  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -1.850  -0.485  -0.269  0.00  0.00    -0.250 N 
ATOM     14  C   LIG    1       -2.395  -1.771  -0.169  0.00  0.00    +0.313 C 
ATOM     15  O   LIG    1       -1.771  -2.817  -0.009  0.00  0.00    -0.252 OA
ATOM     16  N   LIG    1       -3.771  -1.817  -0.176  0.00  0.00    -0.240 N 
ATOM     17  H   LIG    1       -4.151  -2.745  -0.053  0.00  0.00    +0.159 HD
ATOM     18  C   LIG    1       -4.572  -0.817   0.311  0.00  0.00    +0.222 C 
ATOM     19  O   LIG    1       -5.699  -1.052   0.736  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.956   0.555   0.368  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1       -2.794   0.583  -0.598  0.00  0.00    +0.124 C 
ENDBRANCH   9  13
TORSDOF 1