REMARK  Name = BDB000117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.614   0.015  -0.509  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        5.181  -0.488   0.248  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        4.786   0.206  -1.587  0.00  0.00    +0.303 C 
ATOM      4  N   LIG    1        3.474   0.435  -1.268  0.00  0.00    -0.275 N 
ATOM      5  C   LIG    1        2.933   0.689   0.092  0.00  0.00    +0.150 C 
ATOM      6  C   LIG    1        1.537   1.019  -0.213  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.298   1.004  -1.583  0.00  0.00    +0.087 A 
ATOM      8  N   LIG    1        0.047   1.297  -1.906  0.00  0.00    -0.175 NA
ATOM      9  N   LIG    1       -0.526   1.479  -0.687  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1       -1.523   1.640  -0.673  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1        0.351   1.369   0.377  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        2.498   0.669  -2.366  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1        5.189   0.190  -2.746  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1        0.093   1.523   1.721  0.00  0.00    -0.270 N 
ATOM     15  H   LIG    1        0.826   1.241   2.364  0.00  0.00    +0.156 HD
ATOM     16  C   LIG    1       -1.002   2.000   2.381  0.00  0.00    +0.223 C 
ATOM     17  O   LIG    1       -0.992   1.933   3.616  0.00  0.00    -0.275 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.178   2.632   1.665  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.225   1.673   1.149  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -3.448   0.421   1.726  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -4.433  -0.439   1.219  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -5.237  -0.071   0.135  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -5.029   1.201  -0.418  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -4.046   2.063   0.085  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -6.235  -0.939  -0.389  0.00  0.00    -0.271 N 
ATOM     26  C   LIG    1       -6.414  -2.294  -0.067  0.00  0.00    +0.220 C 
ATOM     27  O   LIG    1       -5.806  -2.990   0.732  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1       -7.506  -2.839  -0.958  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -8.222  -1.591  -1.431  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -7.125  -0.548  -1.458  0.00  0.00    +0.114 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  11  14
BRANCH   1  31
ATOM     31  C   LIG    1        7.019  -0.265  -0.735  0.00  0.00    +0.106 C 
BRANCH  31  32
ATOM     32  C   LIG    1        7.837  -0.245   0.555  0.00  0.00    +0.018 C 
BRANCH  32  34
ATOM     33  C   LIG    1        6.577  -2.096   1.815  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        7.909  -1.590   1.288  0.00  0.00    -0.002 C 
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 7