REMARK  Name = BDB063277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.810   0.346  -0.484  0.00  0.00    +0.089 C 
ATOM      2  N   LIG    1        1.804   0.245   0.609  0.00  0.00    -0.304 N 
ATOM      3  C   LIG    1        1.393  -0.506   1.806  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -0.026  -0.120   2.268  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1       -1.036  -0.214   1.195  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1       -0.610   0.656   0.077  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        3.150   0.348   0.376  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1        3.832   1.218  -0.961  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        5.420   0.838  -0.439  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        5.339   0.085   0.727  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        6.532  -0.344   1.342  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.768  -0.009   0.776  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        7.840   0.758  -0.393  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        6.654   1.184  -1.019  0.00  0.00    +0.029 A 
ATOM     15  N   LIG    1        4.058  -0.173   1.175  0.00  0.00    -0.225 NA
BRANCH  13  16
ATOM     16  C   LIG    1        9.180   1.095  -1.006  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       10.183   1.174  -0.089  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        9.577   0.167  -1.919  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        9.180   2.290  -1.661  0.00  0.00    -0.166 F 
ENDBRANCH  13  16
ENDBRANCH   2   7
BRANCH   1  21
ATOM     20  C   LIG    1        0.190  -2.152  -1.016  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        0.854  -0.857  -1.456  0.00  0.00    +0.020 C 
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  C   LIG    1       -2.359   0.176   1.712  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.486  -0.105   0.741  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -4.292   0.937   0.260  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.340   0.681  -0.636  0.00  0.00    -0.036 A 
ATOM     26  C   LIG    1       -5.587  -0.639  -1.038  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.803  -1.695  -0.557  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -5.049  -3.100  -1.022  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -3.750  -1.417   0.321  0.00  0.00    +0.008 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -6.200   1.812  -1.150  0.00  0.00    +0.155 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -7.267   2.262  -0.182  0.00  0.00    +0.309 C 
ATOM     32  O   LIG    1       -7.399   1.970   0.994  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -8.134   3.122  -0.761  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -8.759   3.340  -0.037  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 8