REMARK  Name = BDB052978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.425   0.157   0.069  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -1.867  -0.213  -0.136  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.833   0.762   0.108  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.197   0.480  -0.048  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.602  -0.786  -0.465  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.645  -1.761  -0.736  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.411   2.111   0.507  0.00  0.00    +0.273 A 
ATOM      8  O   LIG    1       -3.227   2.994   0.744  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.060   2.316   0.582  0.00  0.00    -0.241 N 
ATOM     10  H   LIG    1       -0.744   3.239   0.859  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.283  -1.479  -0.578  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1       -0.097   1.380   0.395  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.550  -0.830  -0.077  0.00  0.00    -0.283 N 
ATOM     14  H   LIG    1        0.200  -1.776  -0.115  0.00  0.00    +0.155 HD
BRANCH  13  20
ATOM     15  C   LIG    1        5.337   0.623  -0.016  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1        4.054  -0.118  -0.049  0.00  0.00    +0.062 A 
ATOM     17  N   LIG    1        4.046  -1.454  -0.120  0.00  0.00    -0.178 NA
ATOM     18  N   LIG    1        2.739  -1.764  -0.128  0.00  0.00    -0.264 N 
ATOM     19  H   LIG    1        2.489  -2.743  -0.174  0.00  0.00    +0.190 HD
ATOM     20  C   LIG    1        1.904  -0.679  -0.068  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        2.743   0.410  -0.017  0.00  0.00    +0.068 A 
ENDBRANCH  13  20
ENDBRANCH   1  13
TORSDOF 2