REMARK  Name = BDB020558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.727   0.239  -0.901  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1       -1.395  -0.961  -0.975  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.126  -2.253  -1.626  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -2.389  -2.836  -2.055  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.523  -2.792  -1.246  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -3.523  -1.822  -0.060  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -3.308  -2.599   1.234  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -4.501  -3.518  -1.444  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -2.320  -3.841  -3.099  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.525  -0.777  -0.223  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.498   0.494   0.295  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.407   1.123  -0.106  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -0.649   1.046  -3.720  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        0.597   0.905  -2.886  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        0.548   0.539  -1.523  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        1.744   0.446  -0.755  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.984   0.681  -1.381  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        4.168   0.574  -0.638  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.105   0.238   0.710  0.00  0.00    +0.091 A 
ATOM     20  N   LIG    1        2.932   0.010   1.349  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        3.019   1.020  -2.741  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.799   0.128   0.613  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        1.843   1.133  -3.482  0.00  0.00    +0.004 A 
BRANCH  19  24
ATOM     24  C   LIG    1        5.324   0.111   1.520  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        6.562   0.276   1.012  0.00  0.00    -0.170 NA
ATOM     26  N   LIG    1        7.384   0.084   2.058  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.810   0.193   1.867  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1        6.736  -0.204   3.219  0.00  0.00    +0.108 A 
ATOM     29  C   LIG    1        5.398  -0.195   2.908  0.00  0.00    +0.051 A 
ENDBRANCH  19  24
ENDBRANCH   1  15
BRANCH  11  30
ATOM     30  C   LIG    1       -3.545   1.081   1.196  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -4.148   2.345   0.579  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -5.217   2.935   1.496  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -5.042   2.575   2.868  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -3.671   2.562   3.251  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -2.958   1.392   2.583  0.00  0.00    +0.039 C 
ENDBRANCH  11  30
TORSDOF 3