REMARK  Name = BDB031660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.868  -0.916  -0.814  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.660  -0.052  -0.564  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.958  -0.031   0.672  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.844   0.809   0.807  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -0.356   0.634   2.085  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1        0.457   1.106   2.458  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -1.108  -0.283   2.765  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.385   1.632  -0.232  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -1.086   1.604  -1.436  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.108  -0.713   1.921  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -2.198   0.782  -1.600  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.771   2.444  -0.076  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1        0.987   2.848   0.832  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.135   2.159  -1.026  0.00  0.00    +0.073 S 
ATOM     15  O   LIG    1        3.211   2.950  -0.469  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.766   2.313  -2.418  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.498   0.443  -0.737  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1        2.945  -0.033   0.501  0.00  0.00    +0.044 A 
ATOM     19 BR   LIG    1        3.180   1.035   2.054  0.00  0.00    -0.048 Br
ATOM     20  C   LIG    1        3.218  -1.400   0.651  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        3.050  -2.281  -0.419  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.608  -1.805  -1.649  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        2.335  -0.447  -1.811  0.00  0.00    +0.030 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  24
ATOM     24  C   LIG    1       -3.098  -1.680   2.279  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -3.899  -2.468   2.571  0.00  0.00    -0.191 NA
ENDBRANCH  10  24
TORSDOF 4