REMARK  Name = BDB052940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.111  -0.785  -1.412  0.00  0.00    -0.089 S 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -4.722  -0.507   0.992  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -3.409  -0.029   0.948  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.477  -0.618   0.066  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -2.888  -1.673  -0.750  0.00  0.00    +0.040 A 
ATOM      6  S   LIG    1       -1.556  -2.188  -1.712  0.00  0.00    -0.061 S 
ATOM      7  C   LIG    1       -0.574  -0.991  -0.986  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1       -4.200  -2.165  -0.718  0.00  0.00    +0.021 A 
ATOM      9  N   LIG    1       -1.149  -0.242  -0.075  0.00  0.00    -0.233 NA
ATOM     10  C   LIG    1       -5.103  -1.564   0.166  0.00  0.00    +0.047 A 
BRANCH   2  12
ATOM     11  C   LIG    1       -5.395   1.066   2.646  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -5.720  -0.028   1.797  0.00  0.00    -0.495 OA
ENDBRANCH   2  12
ENDBRANCH   1   7
BRANCH   1  13
ATOM     13  C   LIG    1        1.458   0.795  -0.585  0.00  0.00    +0.172 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.905   1.204  -0.806  0.00  0.00    +0.229 C 
ATOM     15  N   LIG    1        3.804   0.276  -0.321  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        3.476  -0.617   0.017  0.00  0.00    +0.157 HD
ATOM     17  O   LIG    1        3.174   2.284  -1.323  0.00  0.00    -0.275 OA
BRANCH  15  18
ATOM     18  C   LIG    1        5.156   0.458  -0.379  0.00  0.00    +0.165 A 
ATOM     19  S   LIG    1        6.058  -0.878   0.198  0.00  0.00    -0.045 S 
ATOM     20  C   LIG    1        7.483  -0.018  -0.143  0.00  0.00    +0.076 A 
ATOM     21 BR   LIG    1        9.239  -0.686   0.162  0.00  0.00    -0.041 Br
ATOM     22  C   LIG    1        7.194   1.219  -0.665  0.00  0.00    +0.136 A 
ATOM     23  N   LIG    1        5.844   1.490  -0.796  0.00  0.00    -0.232 NA
ENDBRANCH  15  18
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5