REMARK  Name = BDB063275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.163  -1.110  -0.947  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.570  -0.062  -0.087  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        0.856   0.447  -0.446  0.00  0.00    +0.086 C 
ATOM      4  C   LIG    1        0.858   1.342  -1.686  0.00  0.00    +0.029 C 
ATOM      5  N   LIG    1        1.795  -0.680  -0.643  0.00  0.00    -0.304 N 
ATOM      6  C   LIG    1        1.205  -2.004  -0.871  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -0.126  -1.892  -1.645  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        3.083  -0.529  -0.205  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1        4.218  -1.834  -0.084  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1        5.432  -0.765   0.486  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        4.904   0.519   0.547  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        5.728   1.571   0.994  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        7.053   1.310   1.363  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        7.579   0.015   1.290  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        6.761  -1.044   0.853  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1        3.585   0.634   0.153  0.00  0.00    -0.225 NA
BRANCH  14  17
ATOM     17  C   LIG    1        9.004  -0.258   1.712  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        9.828   0.813   1.542  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        9.578  -1.281   1.019  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        9.097  -0.598   3.027  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   5   8
BRANCH   1  21
ATOM     21  C   LIG    1       -2.161  -0.597  -1.896  0.00  0.00    +0.119 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -5.713   2.963  -1.477  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -5.131   1.653  -1.033  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1       -3.968   1.155  -1.633  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -3.420  -0.073  -1.234  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -4.077  -0.818  -0.243  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -5.253  -0.345   0.356  0.00  0.00    -0.036 A 
ATOM     28  C   LIG    1       -5.772   0.892  -0.047  0.00  0.00    +0.007 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -5.942  -1.152   1.429  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.695  -0.664   2.844  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -5.123   0.364   3.168  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.220  -1.505   3.773  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -6.658  -2.292   3.397  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 7