REMARK  Name = BDB058671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.497   0.375  -1.995  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1        1.803   0.445  -1.718  0.00  0.00    +0.102 C 
ATOM      3  C   LIG    1        2.624  -0.080  -0.570  0.00  0.00    +0.273 C 
ATOM      4  O   LIG    1        2.168  -0.691   0.381  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1        3.933   0.312  -0.835  0.00  0.00    -0.189 N 
ATOM      6  C   LIG    1        3.967   1.034  -2.025  0.00  0.00    +0.318 C 
ATOM      7  O   LIG    1        4.907   1.541  -2.619  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1        2.679   1.107  -2.525  0.00  0.00    -0.264 N 
ATOM      9  H   LIG    1        2.463   1.583  -3.388  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        5.068   0.025  -0.011  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.972  -0.815   1.113  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        6.084  -1.102   1.919  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        7.330  -0.561   1.612  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        7.454   0.294   0.518  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        6.335   0.575  -0.281  0.00  0.00    +0.025 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.482  -0.882   2.485  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        8.393  -0.977   3.696  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        9.622  -1.100   1.797  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        9.510  -1.159   0.829  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  22
ATOM     20  C   LIG    1       -2.560  -0.632  -0.443  0.00  0.00    +0.138 A 
ATOM     21  O   LIG    1       -1.785   0.207  -1.179  0.00  0.00    -0.455 OA
ATOM     22  C   LIG    1       -0.501  -0.292  -1.238  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1       -0.498  -1.483  -0.522  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -1.799  -1.687   0.002  0.00  0.00    +0.050 A 
BRANCH  20  31
ATOM     25  C   LIG    1       -6.498  -0.322   2.583  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.901  -0.059   1.225  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1       -6.638   0.592   0.216  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -8.057   1.038   0.441  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.037   0.813  -1.030  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -4.715   0.400  -1.256  0.00  0.00    +0.137 A 
ATOM     31  C   LIG    1       -3.950  -0.229  -0.267  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -4.571  -0.455   0.973  0.00  0.00    +0.017 A 
BRANCH  30  33
ATOM     33  N   LIG    1       -4.185   0.606  -2.591  0.00  0.00    +0.057 N 
ATOM     34  O   LIG    1       -4.061   1.778  -2.972  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1       -3.955  -0.403  -3.273  0.00  0.00    -0.126 OA
ENDBRANCH  30  33
ENDBRANCH  20  31
ENDBRANCH   1  22
TORSDOF 6