REMARK  Name = BDB032940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.206  -0.330  -0.287  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -1.344   0.777  -0.372  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.056   0.649  -0.513  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1        0.589  -0.652  -0.580  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.262  -1.765  -0.557  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.643  -1.600  -0.422  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.873   1.869  -0.627  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        1.620   2.132  -1.788  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.411   3.278  -1.886  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.464   4.182  -0.828  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        1.722   3.944   0.327  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        0.931   2.797   0.425  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1        2.047  -0.937  -0.696  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1        2.826  -0.301   0.240  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1        2.396   0.299   0.930  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        2.405  -1.731  -1.557  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.190  -0.355   0.356  0.00  0.00    +0.165 A 
ATOM     18  S   LIG    1        5.183  -1.232  -0.712  0.00  0.00    -0.048 S 
ATOM     19  C   LIG    1        6.568  -0.720   0.157  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        6.173   0.085   1.204  0.00  0.00    +0.133 A 
ATOM     21  N   LIG    1        4.812   0.292   1.315  0.00  0.00    -0.232 NA
BRANCH  19  22
ATOM     22  C   LIG    1        7.929  -1.135  -0.238  0.00  0.00    +0.425 C 
ATOM     23  F   LIG    1        8.874  -0.612   0.589  0.00  0.00    -0.165 F 
ATOM     24  F   LIG    1        8.091  -2.482  -0.202  0.00  0.00    -0.165 F 
ATOM     25  F   LIG    1        8.250  -0.728  -1.493  0.00  0.00    -0.165 F 
ENDBRANCH  19  22
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  26
ATOM     26  N   LIG    1       -3.582  -0.094  -0.219  0.00  0.00    -0.344 N 
ATOM     27  H   LIG    1       -3.795   0.790   0.237  0.00  0.00    +0.146 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.491  -1.171   0.162  0.00  0.00    +0.101 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.919  -0.625   0.236  0.00  0.00    +0.018 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -6.832  -2.366   1.862  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -6.970  -1.705   0.499  0.00  0.00    -0.002 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 8