REMARK  Name = BDB046043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.672  -1.233  -1.429  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.708  -0.257  -0.688  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.592   0.259  -0.081  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.645   1.075   0.523  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.726  -0.304  -0.307  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.772   0.481   0.492  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        3.099   0.127   0.312  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        3.551  -0.951  -0.578  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        5.016  -1.365  -0.351  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        5.890  -0.198  -0.406  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        5.422   1.067   0.165  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.148   0.877   1.010  0.00  0.00    +0.127 C 
ATOM     13  O   LIG    1        1.425   1.384   1.260  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        7.249  -0.401  -0.521  0.00  0.00    +0.218 A 
ATOM     15  N   LIG    1        8.070   0.662  -0.462  0.00  0.00    -0.223 NA
ATOM     16  C   LIG    1        9.392   0.445  -0.598  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        9.939  -0.796  -0.791  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        9.034  -1.823  -0.840  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1        7.705  -1.652  -0.709  0.00  0.00    -0.223 NA
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.978   0.476  -0.324  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.159  -0.037  -1.141  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.413   0.612  -0.751  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -5.712   1.859  -1.308  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -4.981   2.453  -2.098  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -6.901   2.423  -0.908  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -7.126   3.321  -1.306  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -7.789   1.905  -0.004  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -8.824   2.470   0.323  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.397   0.614   0.553  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1       -8.155  -0.180   1.548  0.00  0.00    +0.043 C 
ATOM     31  C   LIG    1       -7.112  -1.220   1.975  0.00  0.00    +0.011 C 
ATOM     32  C   LIG    1       -6.052  -1.268   0.863  0.00  0.00    +0.054 C 
ATOM     33  C   LIG    1       -6.257   0.038   0.172  0.00  0.00    +0.032 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6