REMARK  Name = BDB058567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.102  -2.082   3.164  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1        0.147  -1.241   1.995  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1        0.919  -1.957   0.972  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        1.367  -1.008  -0.173  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        0.404   0.181  -0.364  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -1.031  -0.230  -0.027  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -1.124  -0.728   1.442  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.797  -0.509  -0.035  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1        3.670  -0.577  -1.133  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1        4.982  -0.116  -1.025  0.00  0.00    +0.162 A 
ATOM     11  O   LIG    1        5.773  -0.246  -2.139  0.00  0.00    -0.485 OA
ATOM     12  C   LIG    1        7.157  -0.070  -1.816  0.00  0.00    +0.270 C 
ATOM     13  C   LIG    1        7.349   1.145  -0.922  0.00  0.00    +0.270 C 
ATOM     14  O   LIG    1        6.696   0.955   0.337  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1        5.431   0.451   0.171  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        4.579   0.520   1.269  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.268   0.047   1.166  0.00  0.00    +0.008 A 
ENDBRANCH   4   8
BRANCH   6  18
ATOM     18  N   LIG    1       -1.920   0.910  -0.257  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.573   1.770   0.146  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.291   0.772  -0.324  0.00  0.00    +0.199 A 
ATOM     21  N   LIG    1       -4.065   1.949  -0.377  0.00  0.00    -0.282 N 
ATOM     22  C   LIG    1       -3.440   3.259  -0.441  0.00  0.00    +0.155 C 
ATOM     23  C   LIG    1       -5.464   1.920  -0.399  0.00  0.00    +0.279 A 
ATOM     24  O   LIG    1       -6.190   2.909  -0.414  0.00  0.00    -0.265 OA
ATOM     25  C   LIG    1       -5.974   0.594  -0.400  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1       -5.177  -0.507  -0.373  0.00  0.00    +0.097 A 
ATOM     27  C   LIG    1       -5.980  -1.656  -0.386  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -7.289  -1.210  -0.422  0.00  0.00    +0.085 A 
ATOM     29  N   LIG    1       -7.273   0.168  -0.430  0.00  0.00    -0.355 N 
ATOM     30  H   LIG    1       -8.081   0.777  -0.457  0.00  0.00    +0.166 HD
ATOM     31  N   LIG    1       -3.794  -0.438  -0.330  0.00  0.00    -0.214 NA
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3