REMARK  Name = BDB030626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.605   0.079   0.298  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -2.215  -0.969  -0.720  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1       -1.125  -0.716  -1.707  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.073  -0.532  -0.903  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.276  -0.240  -1.534  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1        1.308  -0.088  -2.759  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.142  -0.773   0.520  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -1.613  -1.009   0.641  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -5.390   0.652  -1.215  0.00  0.00    +0.049 C 
ATOM     10  C   LIG    1       -5.220   0.293   0.209  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -6.196   0.128   1.172  0.00  0.00    +0.206 A 
ATOM     12  O   LIG    1       -5.617  -0.200   2.359  0.00  0.00    -0.353 OA
ATOM     13  N   LIG    1       -4.244  -0.260   2.202  0.00  0.00    -0.082 NA
ATOM     14  C   LIG    1       -4.026   0.027   0.917  0.00  0.00    +0.091 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -7.666   0.232   1.173  0.00  0.00    +0.409 C 
ATOM     16  F   LIG    1       -8.212  -0.589   0.233  0.00  0.00    -0.200 F 
ATOM     17  F   LIG    1       -8.065   1.492   0.844  0.00  0.00    -0.200 F 
ENDBRANCH  11  15
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1        2.523  -0.110  -0.744  0.00  0.00    +0.147 A 
ATOM     19  N   LIG    1        2.627  -0.284   0.588  0.00  0.00    -0.169 NA
ATOM     20  N   LIG    1        3.922  -0.070   0.862  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        4.227  -0.151   1.827  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1        4.679   0.235  -0.234  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        3.798   0.216  -1.291  0.00  0.00    +0.057 A 
BRANCH  22  24
ATOM     24  C   LIG    1        6.149   0.512  -0.176  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        6.927  -0.705   0.326  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1        6.451   1.743   0.680  0.00  0.00    +0.014 C 
ENDBRANCH  22  24
ENDBRANCH   5  18
TORSDOF 4