REMARK  Name = BDB032936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.579   0.319   1.554  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        1.760  -0.626   0.921  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.355  -0.487   0.837  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1       -0.233   0.647   1.433  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.565   1.569   2.122  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.949   1.397   2.184  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.419  -1.549   0.168  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -1.384  -2.292   0.868  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.141  -3.272   0.222  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.939  -3.530  -1.132  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -0.977  -2.813  -1.840  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -0.220  -1.832  -1.194  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1       -1.696   0.938   1.401  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1       -2.288   0.796   0.168  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1       -1.747   0.503  -0.632  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1       -2.232   1.312   2.437  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.632   0.942  -0.023  0.00  0.00    +0.167 A 
ATOM     18  S   LIG    1       -4.139   0.628  -1.618  0.00  0.00    -0.029 S 
ATOM     19  C   LIG    1       -5.752   0.937  -1.145  0.00  0.00    +0.178 A 
ATOM     20  C   LIG    1       -5.817   1.285   0.191  0.00  0.00    +0.182 A 
ATOM     21  N   LIG    1       -4.564   1.274   0.828  0.00  0.00    -0.218 NA
BRANCH  20  22
ATOM     22  C   LIG    1       -7.045   1.655   0.954  0.00  0.00    +0.437 C 
ATOM     23  F   LIG    1       -7.877   0.595   1.129  0.00  0.00    -0.164 F 
ATOM     24  F   LIG    1       -7.762   2.627   0.330  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1       -6.770   2.133   2.197  0.00  0.00    -0.164 F 
ENDBRANCH  20  22
BRANCH  19  26
ATOM     26  N   LIG    1       -6.849   0.841  -2.120  0.00  0.00    -0.021 NA
ATOM     27  O   LIG    1       -7.967   0.638  -1.635  0.00  0.00    -0.143 OA
ENDBRANCH  19  26
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  28
ATOM     28  N   LIG    1        3.954   0.176   1.704  0.00  0.00    -0.344 N 
ATOM     29  H   LIG    1        4.429   1.047   1.927  0.00  0.00    +0.146 HD
BRANCH  28  30
ATOM     30  C   LIG    1        4.755  -0.726   0.883  0.00  0.00    +0.101 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.907  -0.233  -0.558  0.00  0.00    +0.018 C 
BRANCH  31  33
ATOM     32  C   LIG    1        5.877   1.501  -2.109  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        5.679   1.085  -0.659  0.00  0.00    -0.002 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 9