REMARK  Name = BDB000118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.667  -1.881   0.172  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        5.466  -2.425  -0.652  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        4.574  -1.526   0.919  0.00  0.00    +0.303 C 
ATOM      4  N   LIG    1        3.430  -1.308   0.200  0.00  0.00    -0.275 N 
ATOM      5  C   LIG    1        2.203  -0.887   0.918  0.00  0.00    +0.150 C 
ATOM      6  C   LIG    1        1.286  -0.649  -0.200  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.911  -0.853  -1.427  0.00  0.00    +0.087 A 
ATOM      8  N   LIG    1        1.124  -0.655  -2.477  0.00  0.00    -0.175 NA
ATOM      9  N   LIG    1       -0.051  -0.305  -1.883  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1       -0.864  -0.087  -2.455  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1        0.004  -0.287  -0.498  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        3.317  -1.257  -1.284  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1        4.614  -1.393   2.139  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1       -1.056   0.037   0.323  0.00  0.00    -0.270 N 
ATOM     15  H   LIG    1       -0.907   0.015   1.325  0.00  0.00    +0.156 HD
ATOM     16  C   LIG    1       -2.301   0.385  -0.193  0.00  0.00    +0.225 C 
ATOM     17  O   LIG    1       -2.540   0.448  -1.398  0.00  0.00    -0.275 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -3.322   0.725   0.902  0.00  0.00    +0.102 C 
ATOM     19  C   LIG    1       -3.064   2.141   1.425  0.00  0.00    +0.022 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -4.768   0.531   0.474  0.00  0.00    -0.035 A 
ATOM     21  C   LIG    1       -5.356   1.327  -0.524  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -6.697   1.154  -0.907  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -7.474   0.159  -0.275  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1       -8.815  -0.013  -0.657  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -9.382   0.786  -1.651  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -8.616   1.765  -2.276  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.888  -0.638   0.718  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -7.282   1.948  -1.907  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -5.552  -0.455   1.087  0.00  0.00    +0.005 A 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH  11  14
BRANCH   1  30
ATOM     30  C   LIG    1        6.944  -2.150   0.806  0.00  0.00    +0.106 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.685  -0.879   1.222  0.00  0.00    +0.018 C 
BRANCH  31  33
ATOM     32  C   LIG    1        8.855   1.220   0.460  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        8.076  -0.011   0.024  0.00  0.00    -0.002 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 6