REMARK  Name = BDB058187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.240   1.047   0.383  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.214   0.090   0.437  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.693   0.171   0.550  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -3.092  -1.300   0.311  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -1.887  -2.127   0.570  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -1.734  -3.329  -0.262  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -3.128  -3.871  -0.617  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -3.939  -2.939  -1.360  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -3.605  -1.561  -1.123  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.800  -1.221   0.449  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        0.477  -1.592   0.369  0.00  0.00    -0.199 NA
ATOM     12  C   LIG    1        1.391  -0.611   0.313  0.00  0.00    +0.220 A 
ATOM     13  N   LIG    1        1.063   0.695   0.328  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -1.017   5.209   0.403  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1       -1.641   4.441  -0.503  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1       -1.358   3.114  -0.489  0.00  0.00    +0.123 A 
ATOM     17  C   LIG    1       -0.493   2.488   0.405  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        0.150   3.329   1.319  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -0.111   4.699   1.319  0.00  0.00    +0.044 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -1.291   6.572   0.359  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -1.581   6.926   1.262  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -2.004   6.710  -0.352  0.00  0.00    +0.144 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH  12  23
ATOM     23  N   LIG    1        2.727  -0.955   0.267  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1        3.054  -2.365   0.048  0.00  0.00    +0.136 C 
ATOM     25  C   LIG    1        4.580  -2.541   0.045  0.00  0.00    +0.179 C 
ATOM     26  O   LIG    1        5.248  -1.780  -0.974  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        4.548  -0.582  -1.344  0.00  0.00    +0.179 C 
ATOM     28  C   LIG    1        3.704   0.026  -0.211  0.00  0.00    +0.136 C 
ENDBRANCH  12  23
TORSDOF 3