REMARK  Name = BDB028467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.704  -1.763  -1.800  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.665  -0.740  -1.119  0.00  0.00    +0.303 C 
ATOM      3  N   LIG    1       -2.778  -0.208  -0.498  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -4.061  -0.859  -0.773  0.00  0.00    +0.144 C 
ATOM      5  C   LIG    1       -5.323  -0.072  -0.455  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -5.421   1.330  -0.591  0.00  0.00    -0.043 A 
ATOM      7  C   LIG    1       -6.638   1.971  -0.305  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -7.753   1.238   0.099  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -7.667  -0.145   0.219  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.238   2.159  -1.024  0.00  0.00    +0.037 C 
ATOM     11  C   LIG    1       -3.120   2.183   0.022  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -6.465  -0.794  -0.061  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -2.742   0.803   0.558  0.00  0.00    +0.110 C 
ATOM     14  N   LIG    1       -0.498  -0.056  -0.914  0.00  0.00    -0.297 N 
ATOM     15  H   LIG    1       -0.623   0.937  -0.801  0.00  0.00    +0.150 HD
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.753  -0.439  -1.569  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.305  -1.800  -1.095  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.693  -2.877  -1.821  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.270  -2.678  -1.860  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.830  -1.912  -1.325  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.655  -0.908  -0.623  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        3.595  -1.096   0.842  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        4.570  -0.226   1.611  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.689   0.341   0.978  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.589   1.119   1.718  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.394   1.312   3.085  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.297   0.735   3.720  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.883   0.161  -0.505  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        4.391  -0.032   2.989  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        5.056  -1.002  -1.069  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  14  16
TORSDOF 5