REMARK  Name = BDB061633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.358   0.284   1.296  0.00  0.00    -0.102 S 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -4.562   2.111   1.425  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.600   1.124   0.831  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -3.988   0.199  -0.153  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -3.033  -0.625  -0.775  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1       -3.389  -1.557  -1.897  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.709  -0.606  -0.308  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -1.324   0.263   0.715  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.268   1.123   1.277  0.00  0.00    +0.021 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -5.284   0.158  -0.591  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -6.223  -0.681   0.130  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.630  -1.539   1.264  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -6.853  -1.597  -0.932  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.361   0.223   0.672  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -7.454   1.428   0.481  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -8.321  -0.424   1.382  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -8.221  -1.389   1.463  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1        1.096   1.265  -0.049  0.00  0.00    +0.223 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.516   1.415   0.146  0.00  0.00    -0.203 N 
ATOM     20  C   LIG    1        3.503   0.579  -0.390  0.00  0.00    +0.352 A 
ATOM     21  O   LIG    1        3.295  -0.346  -1.161  0.00  0.00    -0.244 OA
ATOM     22  N   LIG    1        4.698   1.042   0.141  0.00  0.00    -0.250 N 
ATOM     23  C   LIG    1        4.337   2.075   0.938  0.00  0.00    +0.230 A 
ATOM     24  N   LIG    1        3.071   2.345   0.987  0.00  0.00    -0.156 NA
BRANCH  22  25
ATOM     25  C   LIG    1        6.004   0.543  -0.087  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1        7.124   1.127   0.529  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        8.419   0.636   0.307  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        8.635  -0.460  -0.534  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        7.529  -1.043  -1.159  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        6.236  -0.550  -0.935  0.00  0.00    +0.027 A 
BRANCH  28  31
ATOM     31  C   LIG    1       10.031  -0.974  -0.791  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       10.862  -0.810   0.276  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       10.066  -2.303  -1.089  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       10.631  -0.338  -1.834  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9