REMARK  Name = BDB065343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.720   0.310  -1.683  0.00  0.00    -0.182 NA
ATOM      2  H   LIG    1       -0.634   1.098  -2.331  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1       -1.873  -0.828  -2.060  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1       -2.738  -0.239  -3.058  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1       -1.208  -2.093  -2.276  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -2.793  -0.922  -0.548  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1       -2.630  -2.022   0.296  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -3.370  -2.076   1.470  0.00  0.00    +0.125 A 
ATOM      9  F   LIG    1       -3.218  -3.119   2.295  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.266  -1.064   1.806  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -4.434   0.026   0.952  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -3.697   0.099  -0.231  0.00  0.00    +0.029 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1        0.495  -0.102  -0.972  0.00  0.00    +0.185 C 
BRANCH  13  15
ATOM     14  O   LIG    1        1.178   2.153  -1.474  0.00  0.00    -0.291 OA
ATOM     15  C   LIG    1        1.401   1.114  -0.848  0.00  0.00    +0.181 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.595   1.050   0.040  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        3.031  -0.133   0.637  0.00  0.00    +0.134 A 
ATOM     18  F   LIG    1        2.392  -1.293   0.431  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        4.155  -0.149   1.462  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        4.862   1.029   1.698  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.443   2.219   1.105  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.316   2.231   0.279  0.00  0.00    +0.014 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5