REMARK  Name = BDB053967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.178  -1.033   0.225  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        1.106  -0.146   0.032  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.222  -0.628   0.047  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.418  -1.993   0.271  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.772  -2.223   0.253  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.201  -3.127   0.394  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.464  -1.061   0.026  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.845  -0.827  -0.067  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -5.003  -1.785   0.021  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.170  -0.819   0.268  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.799   0.507  -0.413  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -4.309   0.472  -0.317  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -3.402   1.485  -0.478  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -3.589   2.904  -0.768  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -4.653   3.463  -0.937  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -2.344   3.447  -0.816  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -2.163   4.417  -1.019  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -1.363   2.525  -0.613  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -0.167   2.732  -0.639  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -2.033   1.247  -0.380  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.635  -2.893   0.476  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.516  -0.032  -0.119  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.939  -2.390   0.450  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  30
ATOM     24  C   LIG    1        5.281   2.483   1.231  0.00  0.00    +0.161 C 
ATOM     25  N   LIG    1        5.075   1.205   0.575  0.00  0.00    -0.196 N 
ATOM     26  C   LIG    1        6.104   0.638  -0.172  0.00  0.00    +0.235 C 
ATOM     27  O   LIG    1        7.243   1.097  -0.245  0.00  0.00    -0.274 OA
ATOM     28  C   LIG    1        5.707  -0.569  -0.979  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1        4.696  -1.398  -0.226  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        3.568  -0.494   0.206  0.00  0.00    +0.067 C 
ATOM     31  N   LIG    1        3.786   0.726   0.597  0.00  0.00    -0.182 NA
ENDBRANCH   1  30
TORSDOF 1