REMARK  Name = BDB056268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.879  -2.501   0.427  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.895  -1.684  -0.708  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.758  -1.602  -1.512  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -0.385  -2.334  -1.168  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.381  -3.188  -0.058  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.756  -3.269   0.747  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.839  -3.535   1.089  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.078  -2.591   1.281  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        3.257  -1.618   2.265  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        4.477  -1.667   3.055  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        5.563  -0.711   2.566  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        5.119   0.732   2.214  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1        4.150   1.266   3.295  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        2.774   0.590   3.447  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        2.371  -0.456   2.406  0.00  0.00    +0.108 C 
BRANCH  12  16
ATOM     16  N   LIG    1        4.584   0.896   0.844  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1        5.490   0.418  -0.209  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1        5.014   1.110  -1.482  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1        4.067   2.204  -1.015  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1        4.292   2.288   0.483  0.00  0.00    +0.085 C 
ENDBRANCH  12  16
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  C   LIG    1       -1.599  -2.273  -2.010  0.00  0.00    +0.247 C 
ATOM     22  N   LIG    1       -2.247  -1.048  -2.178  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -3.459  -1.028  -2.988  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -4.713  -1.426  -2.215  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1       -5.062  -0.547  -0.989  0.00  0.00    +0.058 C 
ATOM     26  C   LIG    1       -4.045  -0.786   0.153  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -2.694  -0.067   0.080  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -2.069   0.106  -1.301  0.00  0.00    +0.108 C 
ATOM     29  O   LIG    1       -1.991  -3.325  -2.511  0.00  0.00    -0.270 OA
BRANCH  25  30
ATOM     30  N   LIG    1       -5.259   0.883  -1.299  0.00  0.00    -0.299 NA
ATOM     31  C   LIG    1       -5.747   1.662  -0.153  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -6.214   2.966  -0.782  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -6.580   2.604  -2.213  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -6.264   1.122  -2.343  0.00  0.00    +0.085 C 
ENDBRANCH  25  30
ENDBRANCH   4  21
TORSDOF 4