REMARK  Name = BDB039284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.505   3.192  -3.221  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.426   2.161  -2.655  0.00  0.00    +0.113 A 
ATOM      3  S   LIG    1        1.313   1.672  -1.010  0.00  0.00    -0.050 S 
ATOM      4  C   LIG    1        2.564   0.534  -1.330  0.00  0.00    +0.132 A 
ATOM      5  N   LIG    1        3.059   0.632  -2.549  0.00  0.00    -0.141 NA
ATOM      6  N   LIG    1        2.394   1.565  -3.319  0.00  0.00    -0.145 NA
BRANCH   4   7
ATOM      7  C   LIG    1        3.040  -0.402  -0.304  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        4.389  -0.786  -0.293  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.882  -1.683   0.664  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        4.028  -2.223   1.625  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        2.679  -1.859   1.612  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        2.188  -0.961   0.658  0.00  0.00    +0.014 A 
BRANCH  10  13
ATOM     13  O   LIG    1        4.365  -3.104   2.612  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        5.718  -3.521   2.692  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        6.098  -4.163   1.568  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        5.844  -4.379   3.729  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        6.538  -2.472   2.914  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1       -0.877   2.452  -4.167  0.00  0.00    -0.118 S 
BRANCH  18  24
ATOM     19  C   LIG    1       -4.086   2.770   0.013  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.251   1.911  -0.893  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -3.103   0.536  -0.657  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -2.385  -0.259  -1.550  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -1.728   0.327  -2.634  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -1.790   1.707  -2.830  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -2.567   2.492  -1.973  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -3.768  -0.019   0.398  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.964  -0.491   1.493  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -3.906  -0.384   2.707  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -2.638  -1.978   1.272  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -1.689   0.300   1.898  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -1.405   1.457   1.636  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -0.850  -0.403   2.696  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -0.152   0.248   2.925  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 10