REMARK  Name = BDB022389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.388   0.728   2.275  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        4.601  -0.150   1.442  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        4.267  -0.985   1.895  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        3.710   0.394   0.547  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        2.982  -0.537  -0.180  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1        1.984  -0.045  -1.121  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1        0.610  -0.626  -0.890  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.332  -1.994  -0.773  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.987  -2.417  -0.558  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.038  -1.503  -0.472  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.795  -0.133  -0.591  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1        1.214  -3.036  -0.811  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1        2.546  -2.788  -1.244  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.470   0.284  -0.803  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.333  -1.958  -0.233  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1        3.595   1.608   0.402  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.885   0.842  -0.504  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1       -3.623   0.983   0.693  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -4.657   1.913   0.755  0.00  0.00    +0.066 A 
ATOM     20  N   LIG    1       -5.166   1.809   2.024  0.00  0.00    -0.277 N 
ATOM     21  H   LIG    1       -5.931   2.336   2.426  0.00  0.00    +0.189 HD
ATOM     22  N   LIG    1       -4.551   0.894   2.792  0.00  0.00    -0.181 NA
ATOM     23  C   LIG    1       -5.013   2.735  -0.318  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -4.275   2.596  -1.496  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.607   0.401   1.985  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1       -3.233   1.671  -1.589  0.00  0.00    +0.009 A 
ENDBRANCH  11  17
TORSDOF 1