REMARK  Name = BDB001529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.001  -1.337   0.548  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -0.706  -2.669   0.780  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1       -1.662  -3.583   0.994  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1        0.617  -3.021   0.766  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1        1.612  -2.143   0.543  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.262  -0.865   0.329  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -0.015  -0.440   0.332  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -2.358  -0.939   0.588  0.00  0.00    -0.294 N 
ATOM      9  H   LIG    1       -2.960  -1.629   0.140  0.00  0.00    +0.154 HD
BRANCH   8  11
ATOM     10  C   LIG    1       -4.222   0.464  -0.107  0.00  0.00    +0.141 A 
ATOM     11  C   LIG    1       -2.922   0.352   0.440  0.00  0.00    +0.075 A 
ATOM     12  C   LIG    1       -2.276   1.511   0.884  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.884   2.761   0.758  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.153   2.865   0.197  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.825   1.719  -0.233  0.00  0.00    +0.047 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.118  -0.672  -1.006  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -4.791  -0.728  -0.497  0.00  0.00    -0.493 OA
ENDBRANCH  10  17
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   6  18
ATOM     18  N   LIG    1        2.202   0.129   0.082  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        1.718   1.002  -0.074  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.597   0.153  -0.015  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.413  -0.969   0.168  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        5.807  -0.882   0.060  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        6.397   0.340  -0.234  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1        5.617   1.471  -0.420  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.226   1.375  -0.310  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        7.748   0.470  -0.348  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        8.155  -0.398  -0.193  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6