REMARK  Name = BDB039570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.251  -0.063  -1.095  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.137   0.645  -0.434  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.078   0.743  -1.390  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.519  -0.538  -1.998  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.662  -1.188  -2.620  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.885  -1.360  -1.684  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.913   0.430   0.824  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.132  -0.593   1.244  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        3.925  -0.775   0.640  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.136  -1.917   1.206  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.467   0.037  -0.413  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.309   1.092  -0.801  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.541   1.299  -0.187  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.629   1.023   1.272  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.297   0.976   0.724  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.204   0.865  -0.277  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.229   0.592   1.526  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.342   0.380   2.728  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.167  -1.433  -1.026  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.511  -0.921  -0.550  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.511  -0.586  -1.474  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.752  -0.124  -1.030  0.00  0.00    +0.052 A 
ATOM     23  N   LIG    1       -5.731   0.212  -1.996  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.521   0.118  -2.979  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.999   0.681  -1.702  0.00  0.00    +0.260 A 
ATOM     26  C   LIG    1       -7.286   0.815  -0.293  0.00  0.00    +0.085 A 
ATOM     27  C   LIG    1       -6.360   0.498   0.688  0.00  0.00    +0.083 A 
ATOM     28  N   LIG    1       -6.997   0.755   1.875  0.00  0.00    -0.266 N 
ATOM     29  C   LIG    1       -6.505   0.603   3.223  0.00  0.00    +0.173 C 
ATOM     30  N   LIG    1       -8.261   1.212   1.713  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -8.429   1.245   0.389  0.00  0.00    +0.148 A 
ATOM     32  O   LIG    1       -7.804   0.957  -2.584  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1       -5.025   0.006   0.354  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1       -4.030  -0.336   1.269  0.00  0.00    +0.012 A 
ATOM     35  C   LIG    1       -2.785  -0.797   0.820  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4