REMARK  Name = BDB012382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625  -0.860   1.774  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.284   0.254   1.298  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1        1.614  -0.028   0.931  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        2.469   0.996   0.511  0.00  0.00    +0.156 A 
ATOM      5  C   LIG    1        1.982   2.307   0.475  0.00  0.00    +0.165 A 
ATOM      6  F   LIG    1        2.778   3.310   0.073  0.00  0.00    -0.202 F 
ATOM      7  C   LIG    1        0.676   2.605   0.849  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -0.172   1.581   1.266  0.00  0.00    +0.010 A 
BRANCH   4   9
ATOM      9  O   LIG    1        3.773   0.841   0.126  0.00  0.00    -0.484 OA
BRANCH   9  10
ATOM     10  C   LIG    1        4.300  -0.483   0.089  0.00  0.00    +0.264 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.721  -0.455  -0.431  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1        6.081   0.381  -1.501  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        7.385   0.375  -1.999  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        8.329  -0.474  -1.435  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        9.580  -0.482  -1.914  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        7.993  -1.319  -0.384  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        6.689  -1.313   0.116  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -1.973  -0.696   1.333  0.00  0.00    -0.471 OA
BRANCH  18  20
ATOM     19  N   LIG    1       -3.551  -0.863  -0.448  0.00  0.00    -0.182 N 
ATOM     20  C   LIG    1       -2.270  -1.053   0.076  0.00  0.00    +0.220 A 
ATOM     21  C   LIG    1       -1.530  -1.625  -0.940  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1       -2.413  -1.758  -2.019  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -3.635  -1.309  -1.740  0.00  0.00    -0.170 NA
BRANCH  19  26
ATOM     24  C   LIG    1       -6.995   0.382   0.096  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -5.893  -0.215  -0.518  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -4.692  -0.268   0.188  0.00  0.00    +0.158 A 
ATOM     27  N   LIG    1       -4.575   0.233   1.446  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1       -5.668   0.778   2.022  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1       -6.892   0.874   1.395  0.00  0.00    +0.035 A 
BRANCH  24  31
ATOM     30  O   LIG    1       -9.363   0.360   0.016  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1       -8.307   0.473  -0.581  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -8.220   0.739  -1.900  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -7.330   0.959  -2.232  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 9