REMARK  Name = BDB056578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.481  -0.550  -1.555  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        1.681  -0.995  -2.443  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.665  -0.526  -0.773  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1        2.660  -0.938   0.513  0.00  0.00    -0.239 NA
ATOM      5  C   LIG    1        3.799  -0.911   1.252  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1        4.994  -0.449   0.698  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        4.982  -0.019  -0.626  0.00  0.00    +0.052 A 
ATOM      8  N   LIG    1        6.259   0.392  -0.934  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        6.545   0.760  -1.830  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        7.081   0.229   0.150  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        6.324  -0.291   1.177  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.820  -0.045  -1.397  0.00  0.00    +0.070 A 
BRANCH  10  13
ATOM     13  C   LIG    1        8.585   0.577   0.182  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        9.427   0.422   1.255  0.00  0.00    +0.114 A 
ATOM     15  N   LIG    1       10.652   0.854   0.832  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1       11.520   0.888   1.356  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1       10.660   1.278  -0.445  0.00  0.00    -0.182 NA
ATOM     18  C   LIG    1        9.395   1.108  -0.839  0.00  0.00    +0.144 A 
ENDBRANCH  10  13
ENDBRANCH   1   3
BRANCH   1  20
ATOM     19  C   LIG    1       -0.791  -1.198  -2.093  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        0.151  -0.784  -1.143  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -0.311  -0.499   0.145  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.656  -0.681   0.498  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -2.574  -1.131  -0.445  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -2.134  -1.380  -1.745  0.00  0.00    +0.047 A 
BRANCH  23  25
ATOM     25  O   LIG    1       -3.908  -1.348  -0.248  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.446  -1.204   1.067  0.00  0.00    +0.244 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.842   0.252   1.394  0.00  0.00    +0.125 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -6.045   0.826   0.766  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1       -7.298   0.168   1.177  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -8.511   0.878   0.552  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -8.424   0.899  -0.880  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -7.215   1.557  -1.290  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -5.975   0.859  -0.706  0.00  0.00    +0.112 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  20
TORSDOF 7