REMARK  Name = BDB052923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.658  -0.431   0.061  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.152  -0.479   0.121  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        2.941  -1.165   1.048  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        2.390  -1.964   2.188  0.00  0.00    +0.000 C 
ATOM      5  N   LIG    1        4.282  -1.030   0.863  0.00  0.00    +0.000 NA
ATOM      6  C   LIG    1        4.584  -0.261  -0.209  0.00  0.00    +0.000 A 
ATOM      7  S   LIG    1        3.180   0.290  -0.965  0.00  0.00    +0.000 S 
BRANCH   6   8
ATOM      8  C   LIG    1        5.971   0.041  -0.632  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        6.226   0.843  -1.758  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        7.538   1.122  -2.149  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        8.624   0.620  -1.413  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        8.371  -0.205  -0.305  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.058  -0.484   0.087  0.00  0.00    +0.000 A 
BRANCH  11  14
ATOM     14  C   LIG    1       10.039   0.879  -1.865  0.00  0.00    +0.000 C 
ATOM     15  F   LIG    1       10.423  -0.110  -2.750  0.00  0.00    +0.000 F 
ATOM     16  F   LIG    1       10.905   0.879  -0.784  0.00  0.00    +0.000 F 
ATOM     17  F   LIG    1       10.134   2.109  -2.493  0.00  0.00    +0.000 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18 SE   LIG    1       -0.043   0.594   1.565  0.00  0.00    +0.000 Se
BRANCH  18  23
ATOM     19  C   LIG    1       -4.498  -0.455   0.347  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.780  -1.298   1.222  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.428  -2.537   1.775  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -2.461  -0.977   1.581  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.850   0.170   1.073  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.551   1.005   0.202  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.863   0.697  -0.163  0.00  0.00    +0.000 A 
BRANCH  19  26
ATOM     26  O   LIG    1       -5.817  -0.825   0.010  0.00  0.00    +0.000 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.839  -0.058  -0.648  0.00  0.00    +0.000 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -6.620   2.118   0.759  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -7.507   0.958   0.307  0.00  0.00    +0.000 C 
ENDBRANCH  27  29
BRANCH  27  30
ATOM     30  C   LIG    1       -6.409   0.453  -2.007  0.00  0.00    +0.000 C 
ATOM     31  O   LIG    1       -5.646  -0.260  -2.711  0.00  0.00    +0.000 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.878   1.653  -2.540  0.00  0.00    +0.000 OA
ATOM     33  H   LIG    1       -7.551   2.240  -2.067  0.00  0.00    +0.000 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 10