REMARK  Name = BDB051319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.024   0.479   2.851  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.901   0.658   2.397  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.586   0.469   0.948  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -5.655   0.239   0.080  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -5.437   0.044  -1.280  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -4.115   0.066  -1.735  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -3.008   0.282  -0.904  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.841   0.183  -1.750  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -2.289  -0.055  -3.035  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -3.649  -0.116  -3.016  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -4.237  -0.287  -3.820  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.243   0.515   0.484  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -2.151   0.752   1.504  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -2.656   1.599   2.665  0.00  0.00    +0.109 C 
ATOM     15  N   LIG    1       -3.869   1.050   3.215  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -4.162   1.302   4.151  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1       -0.391   0.289  -1.382  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.145  -1.007  -0.763  0.00  0.00    +0.110 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.484  -0.867  -0.210  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        1.666  -1.440   0.598  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        2.568  -0.744  -1.046  0.00  0.00    +0.302 C 
ATOM     22  N   LIG    1        3.786  -0.652  -0.399  0.00  0.00    -0.283 N 
ATOM     23  C   LIG    1        5.000  -0.466  -1.200  0.00  0.00    +0.124 C 
ATOM     24  C   LIG    1        5.829   0.720  -0.676  0.00  0.00    +0.100 C 
ATOM     25  N   LIG    1        6.208   0.638   0.750  0.00  0.00    -0.313 NA
ATOM     26  H   LIG    1        6.066   1.556   1.171  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        5.424  -0.370   1.478  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1        3.950  -0.471   1.047  0.00  0.00    +0.124 C 
ATOM     29  O   LIG    1        2.450  -0.698  -2.267  0.00  0.00    -0.253 OA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 3