REMARK  Name = BDB020539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.978  -1.540  -0.517  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.937  -1.094   0.504  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -2.688  -0.727  -0.143  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.652  -1.611  -0.287  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -0.672  -0.899  -0.941  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1       -1.086   0.388  -1.167  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.759  -2.985   0.231  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -2.579  -2.981   1.435  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -2.419  -4.110   2.334  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.308   0.480  -0.676  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -3.728  -2.202   1.539  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -4.581  -2.396   2.409  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.634  -1.396  -1.326  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.827  -0.815  -0.817  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.072  -1.349  -1.214  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.256  -0.794  -0.709  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        4.189   0.270   0.186  0.00  0.00    +0.091 A 
ATOM     18  N   LIG    1        3.014   0.805   0.587  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        3.112  -2.431  -2.109  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        1.938  -2.987  -2.612  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.880   0.264   0.080  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        0.704  -2.473  -2.224  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  C   LIG    1        5.417   0.871   0.724  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        5.519   1.302   1.994  0.00  0.00    -0.170 NA
ATOM     25  N   LIG    1        6.762   1.795   2.091  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        7.193   2.380   3.337  0.00  0.00    +0.172 C 
ATOM     27  C   LIG    1        7.491   1.668   0.949  0.00  0.00    +0.108 A 
ATOM     28  C   LIG    1        6.650   1.075   0.038  0.00  0.00    +0.051 A 
ENDBRANCH  17  23
ENDBRANCH   5  13
BRANCH  10  29
ATOM     29  C   LIG    1       -3.156   1.720  -0.673  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -2.800   2.620   0.514  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -3.601   3.913   0.454  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -3.398   4.585  -0.787  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.800   3.802  -1.909  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -3.006   2.506  -1.982  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3