REMARK  Name = BDB056921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.113  -2.732   2.060  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1       -3.413  -2.004   0.974  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.335  -1.438   0.408  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -1.025  -1.542   0.830  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -0.268  -0.761  -0.090  0.00  0.00    +0.105 A 
ATOM      6  N   LIG    1       -1.063  -0.236  -1.042  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1       -0.816  -2.337   1.948  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -2.305  -0.639  -0.698  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -1.875  -2.925   2.555  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.169  -0.514  -0.107  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        1.901  -0.335   1.057  0.00  0.00    +0.123 A 
ATOM     12  N   LIG    1        3.241  -0.122   1.099  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        3.922  -0.048  -0.066  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        3.255  -0.213  -1.281  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        1.876  -0.440  -1.303  0.00  0.00    +0.015 A 
BRANCH  13  16
ATOM     16  N   LIG    1        5.308   0.162  -0.042  0.00  0.00    -0.313 N 
ATOM     17  C   LIG    1        5.897   0.195   1.308  0.00  0.00    +0.121 C 
ATOM     18  C   LIG    1        7.445   0.154   1.225  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1        8.061   0.808   0.046  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1        8.141   0.085  -0.672  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        7.136   1.826  -0.481  0.00  0.00    +0.100 C 
ATOM     22  C   LIG    1        5.782   1.234  -0.943  0.00  0.00    +0.121 C 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  24
ATOM     23  C   LIG    1       -5.200  -3.879   1.955  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1       -4.124  -3.366   2.772  0.00  0.00    -0.316 N 
ATOM     25  H   LIG    1       -3.655  -4.054   3.353  0.00  0.00    +0.149 HD
ENDBRANCH   1  24
BRANCH   8  26
ATOM     26  C   LIG    1       -3.447  -0.232  -1.494  0.00  0.00    +0.149 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.177   0.974  -0.905  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -3.373   2.273  -0.948  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.421   3.372  -0.792  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -5.749   2.761  -1.239  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -5.426   1.345  -1.702  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 5