REMARK  Name = BDB000745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.031   0.063  -0.092  0.00  0.00    +0.068 A 
ATOM      2  N   LIG    1       -0.869   0.668  -0.988  0.00  0.00    -0.353 N 
ATOM      3  H   LIG    1       -0.544   1.212  -1.776  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -2.180   0.426  -0.654  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -2.167  -0.363   0.498  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.396  -0.760   1.060  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -4.590  -0.356   0.452  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.572   0.432  -0.697  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.365   0.839  -1.274  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -0.802  -0.586   0.843  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        5.056  -0.378   0.626  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1        3.678  -0.086   0.179  0.00  0.00    +0.034 A 
ATOM     13  N   LIG    1        3.411   0.671  -0.929  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1        4.072   1.110  -1.561  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1        2.099   0.826  -1.175  0.00  0.00    -0.172 NA
ATOM     16  C   LIG    1        1.510   0.143  -0.187  0.00  0.00    +0.109 A 
ATOM     17  C   LIG    1        2.447  -0.445   0.685  0.00  0.00    +0.054 A 
ENDBRANCH   1  16
TORSDOF 1