REMARK  Name = BDB026655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.242  -0.920   0.292  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1        0.169  -1.772  -0.838  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        1.527  -1.284  -1.392  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        2.711  -1.583  -0.565  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        2.631  -1.041   0.795  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        1.660  -1.841   1.664  0.00  0.00    +0.034 C 
ATOM      7  C   LIG    1        0.206  -1.376   1.616  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.628  -2.860  -0.022  0.00  0.00    +0.088 C 
ATOM      9  C   LIG    1       -3.759  -1.666   0.216  0.00  0.00    +0.128 A 
ATOM     10  N   LIG    1       -2.430  -1.842   0.138  0.00  0.00    -0.217 NA
ATOM     11  C   LIG    1       -1.651  -0.759   0.324  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1       -2.183   0.505   0.564  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -1.310   1.712   0.778  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1       -2.065   3.037   0.665  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -3.374   2.972   1.441  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1       -4.277   1.891   0.854  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -3.568   0.580   0.633  0.00  0.00    +0.050 A 
ATOM     18  N   LIG    1       -4.365  -0.493   0.452  0.00  0.00    -0.237 NA
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        3.970  -1.240  -1.254  0.00  0.00    +0.126 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.201   0.223  -1.533  0.00  0.00    +0.004 A 
ATOM     21  S   LIG    1        3.941   0.857  -3.108  0.00  0.00    -0.100 S 
ATOM     22  C   LIG    1        4.410   2.428  -2.627  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1        4.783   2.474  -1.303  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        4.673   1.200  -0.675  0.00  0.00    +0.012 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 3