REMARK  Name = BDB026365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.916   1.681   2.361  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.866   0.835   1.466  0.00  0.00    +0.233 C 
ATOM      3  N   LIG    1       -1.708   0.564   0.783  0.00  0.00    -0.299 N 
ATOM      4  C   LIG    1       -0.347   0.924   1.189  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1        0.096  -0.111   0.209  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        1.193  -1.064   0.549  0.00  0.00    +0.116 C 
ATOM      7  N   LIG    1        1.583  -0.970  -0.852  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1        0.878   0.296  -1.000  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1       -1.302  -0.623   0.029  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.924  -1.163  -1.293  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        4.046  -0.406  -0.850  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        5.285  -0.740  -1.386  0.00  0.00    +0.110 A 
ATOM     13  S   LIG    1        6.557   0.219  -0.783  0.00  0.00    -0.073 S 
ATOM     14  C   LIG    1        5.502   1.116   0.216  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        5.541  -1.704  -2.290  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1        4.454  -2.393  -2.683  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1        4.196   0.685   0.078  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        3.158  -2.182  -2.239  0.00  0.00    +0.094 A 
BRANCH  18  19
ATOM     19  C   LIG    1        2.047  -3.035  -2.772  0.00  0.00    +0.421 C 
ATOM     20  F   LIG    1        2.475  -3.962  -3.680  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        1.084  -2.322  -3.422  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        1.405  -3.753  -1.808  0.00  0.00    -0.166 F 
ENDBRANCH  18  19
BRANCH  14  23
ATOM     23  C   LIG    1        6.034   2.219   1.089  0.00  0.00    +0.155 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.104   1.834   2.556  0.00  0.00    +0.394 C 
ATOM     25  F   LIG    1        4.881   1.528   3.047  0.00  0.00    -0.170 F 
ATOM     26  F   LIG    1        6.581   2.868   3.288  0.00  0.00    -0.170 F 
ATOM     27  F   LIG    1        6.917   0.779   2.768  0.00  0.00    -0.170 F 
ENDBRANCH  23  24
ENDBRANCH  14  23
ENDBRANCH   7  10
BRANCH   2  28
ATOM     28  C   LIG    1       -4.107   0.042   1.016  0.00  0.00    +0.144 C 
ATOM     29  C   LIG    1       -4.637   0.527  -0.344  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -5.662  -0.505  -0.859  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -6.845  -0.297   0.096  0.00  0.00    +0.183 C 
ATOM     32  C   LIG    1       -6.332   0.813   1.044  0.00  0.00    +0.089 C 
ATOM     33  F   LIG    1       -7.134  -1.439   0.758  0.00  0.00    -0.244 F 
ATOM     34  C   LIG    1       -5.544   1.684   0.077  0.00  0.00    +0.027 C 
ATOM     35  N   LIG    1       -5.260   0.296   1.934  0.00  0.00    -0.300 NA
ATOM     36  H   LIG    1       -4.971   1.042   2.579  0.00  0.00    +0.123 HD
ENDBRANCH   2  28
TORSDOF 5