REMARK  Name = BDB036927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.882  -0.027   0.494  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -0.790  -0.706  -0.660  0.00  0.00    -0.064 NA
ATOM      3  N   LIG    1        0.489  -0.741  -1.001  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1        1.213  -0.076  -0.043  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        0.345   0.395   0.919  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -5.396  -1.470  -0.894  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -4.410  -0.975  -0.355  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.811  -1.585   0.717  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.235  -2.454   1.016  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -2.812  -1.096   1.522  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.470  -1.707   2.534  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -2.168   0.213   1.118  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -3.120   1.079   0.290  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -3.782   0.308  -0.843  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        2.657   0.083  -0.088  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.372  -0.412  -1.192  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.761  -0.274  -1.267  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        5.441   0.359  -0.236  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1        6.771   0.493  -0.305  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        4.759   0.857   0.867  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        3.369   0.719   0.942  0.00  0.00    +0.013 A 
ENDBRANCH   4  15
TORSDOF 2