REMARK  Name = BDB031685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.306   0.018   0.016  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.772   0.797  -1.006  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.617   0.948  -1.130  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.510   0.328  -0.243  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        0.960  -0.455   0.773  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.428  -0.609   0.903  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -3.650   1.230  -1.368  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.731   0.379  -0.491  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -2.686  -0.193   0.212  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -2.929  -0.780   0.999  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -5.087  -0.084  -0.079  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -5.331  -1.415   0.287  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -6.617  -1.808   0.666  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.659  -0.879   0.672  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.423   0.441   0.291  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.140   0.839  -0.089  0.00  0.00    +0.013 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  N   LIG    1        2.887   0.521  -0.434  0.00  0.00    -0.299 N 
ATOM     18  H   LIG    1        3.115   1.141  -1.198  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.022   0.041   0.235  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        5.317   0.427  -0.173  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        6.387  -0.093   0.539  0.00  0.00    +0.143 A 
ATOM     22  N   LIG    1        7.544   0.394  -0.003  0.00  0.00    -0.346 N 
ATOM     23  H   LIG    1        8.465   0.162   0.341  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        7.250   1.223  -1.055  0.00  0.00    +0.085 A 
ATOM     25  N   LIG    1        6.334  -0.931   1.582  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        5.064  -1.237   1.890  0.00  0.00    +0.225 A 
ATOM     27  C   LIG    1        5.877   1.264  -1.185  0.00  0.00    +0.032 A 
ATOM     28  N   LIG    1        3.936  -0.810   1.291  0.00  0.00    -0.220 NA
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 4