REMARK  Name = BDB052921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.357  -0.004  -0.201  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1        1.988   0.199  -1.430  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        1.261   0.395  -2.724  0.00  0.00    +0.000 C 
ATOM      4  N   LIG    1        3.348   0.175  -1.381  0.00  0.00    +0.000 NA
ATOM      5  C   LIG    1        3.819  -0.027  -0.129  0.00  0.00    +0.000 A 
ATOM      6  S   LIG    1        2.549  -0.193   0.970  0.00  0.00    +0.000 S 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.262  -0.093   0.200  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        5.694  -0.302   1.521  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        7.059  -0.362   1.821  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        8.019  -0.234   0.803  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        7.588   0.003  -0.512  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.224   0.063  -0.812  0.00  0.00    +0.000 A 
BRANCH  10  13
ATOM     13  C   LIG    1        9.490  -0.249   1.135  0.00  0.00    +0.000 C 
ATOM     14  F   LIG    1       10.227  -0.725   0.064  0.00  0.00    +0.000 F 
ATOM     15  F   LIG    1        9.903   1.037   1.430  0.00  0.00    +0.000 F 
ATOM     16  F   LIG    1        9.737  -1.064   2.226  0.00  0.00    +0.000 F 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.115  -0.035   0.069  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18 SE   LIG    1       -0.909  -1.633  -0.717  0.00  0.00    +0.000 Se
BRANCH  18  24
ATOM     19  C   LIG    1       -5.492   1.030  -1.725  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -4.704   0.177  -0.771  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.254  -0.187   0.474  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.499  -0.987   1.355  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.218  -1.414   0.999  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.675  -1.051  -0.235  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.414  -0.260  -1.118  0.00  0.00    +0.000 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -6.545   0.260   0.800  0.00  0.00    +0.000 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -7.220  -0.033   2.021  0.00  0.00    +0.000 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -8.571   0.605   2.027  0.00  0.00    +0.000 C 
ATOM     29  O   LIG    1       -9.324   0.460   3.026  0.00  0.00    +0.000 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -9.003   1.355   0.936  0.00  0.00    +0.000 OA
ATOM     31  H   LIG    1       -9.918   1.790   0.934  0.00  0.00    +0.000 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9