REMARK  Name = BDB053790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.234  -0.175  -0.298  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.164   0.193   0.528  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.156  -0.044   0.122  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        2.321   0.256   1.012  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        3.590   0.319   0.307  0.00  0.00    -0.284 N 
ATOM      6  C   LIG    1        3.813  -0.418  -0.838  0.00  0.00    +0.307 C 
ATOM      7  N   LIG    1        2.710  -0.887  -1.493  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        2.909  -1.359  -2.365  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        4.929  -0.637  -1.305  0.00  0.00    -0.252 OA
ATOM     10  C   LIG    1        4.735   0.784   1.065  0.00  0.00    +0.134 C 
ATOM     11  C   LIG    1        1.394  -0.660  -1.102  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        0.339  -1.046  -1.927  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -0.976  -0.800  -1.525  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -3.711  -2.299   0.167  0.00  0.00    +0.070 C 
ATOM     15  C   LIG    1       -3.684  -0.825   0.317  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -2.598   0.067   0.117  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -3.130   1.308   0.393  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1       -2.612   2.690   0.378  0.00  0.00    +0.090 C 
ATOM     19  O   LIG    1       -4.437   1.165   0.743  0.00  0.00    -0.359 OA
ATOM     20  N   LIG    1       -4.789  -0.170   0.694  0.00  0.00    -0.083 NA
ENDBRANCH   1  16
TORSDOF 1