REMARK  Name = BDB056538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        6.524   2.420  -0.799  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        7.257   2.225  -0.134  0.00  0.00    +0.147 HD
ATOM      3  H   LIG    1        6.467   3.372  -1.139  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1        5.336   1.736  -0.815  0.00  0.00    +0.317 C 
ATOM      5  N   LIG    1        5.389   0.472  -0.181  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1        4.296  -0.347   0.100  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1        4.754  -1.494   0.745  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        3.804  -2.447   1.135  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.462  -2.184   0.850  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        2.103  -1.006   0.190  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1        6.158  -1.392   0.846  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1        3.006  -0.071  -0.183  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1        6.527  -0.200   0.267  0.00  0.00    +0.098 A 
ATOM     14  O   LIG    1        4.316   2.187  -1.314  0.00  0.00    -0.249 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        0.693  -0.682  -0.138  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.264  -1.676  -0.414  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -1.593  -1.351  -0.715  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -2.010  -0.016  -0.751  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1       -1.067   0.985  -0.494  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        0.260   0.655  -0.195  0.00  0.00    +0.010 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.441   0.341  -1.096  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.098   1.162  -0.064  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -4.388   0.401   1.161  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -5.713  -0.305   0.915  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -6.390   0.496  -0.188  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.420   1.622  -0.513  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  10  15
TORSDOF 3