REMARK  Name = BDB001233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.534  -3.122   2.372  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.046  -1.746   2.106  0.00  0.00    +0.109 A 
ATOM      3  S   LIG    1        0.139  -0.353   2.530  0.00  0.00    +0.030 S 
ATOM      4  N   LIG    1        1.288   0.699   1.947  0.00  0.00    -0.189 NA
ATOM      5  C   LIG    1        2.302  -0.036   1.471  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1        2.202  -1.430   1.560  0.00  0.00    -0.222 NA
BRANCH   5   7
ATOM      7  C   LIG    1        3.494   0.574   0.871  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        3.636   1.965   0.790  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.778   2.531   0.213  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        5.801   1.724  -0.293  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        5.669   0.338  -0.214  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.524  -0.230   0.363  0.00  0.00    +0.015 A 
BRANCH  10  13
ATOM     13  O   LIG    1        6.852   2.412  -0.825  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        7.928   1.664  -1.365  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        7.515   0.881  -2.384  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        8.514   0.901  -0.418  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        8.854   2.523  -1.845  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   5   7
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1        0.066  -4.010   0.843  0.00  0.00    -0.118 S 
BRANCH  18  24
ATOM     19  C   LIG    1       -4.764  -1.885   1.213  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.455  -1.972   0.481  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -3.195  -1.163  -0.633  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -2.001  -1.292  -1.343  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -1.019  -2.175  -0.895  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -1.232  -2.940   0.253  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -2.456  -2.850   0.926  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -4.165  -0.310  -1.071  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.971   1.105  -0.842  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -3.642   1.756  -2.190  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -2.933   1.492   0.227  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.338   1.621  -0.358  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -6.300   0.959   0.003  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.426   2.971  -0.319  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -6.337   3.130   0.009  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