REMARK  Name = BDB059167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.583   1.043  -1.581  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.602   0.337  -1.079  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -1.313  -0.738  -0.306  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.010  -1.135  -0.059  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.974  -0.336  -0.620  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.705   0.744  -1.388  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.506  -1.433   0.212  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.512  -1.867  -0.670  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.649  -2.530  -0.201  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.805  -2.763   1.163  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.830  -2.326   2.057  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.694  -1.662   1.586  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1        0.307  -2.308   0.688  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        0.594  -3.263   1.284  0.00  0.00    -0.191 NA
ENDBRANCH   4  13
BRANCH   1  15
ATOM     15  S   LIG    1       -0.999   2.428  -2.600  0.00  0.00    -0.073 S 
BRANCH  15  16
ATOM     16  C   LIG    1        0.492   3.434  -2.353  0.00  0.00    +0.165 C 
BRANCH  16  18
ATOM     17  C   LIG    1        0.262   5.814  -3.544  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        0.363   4.743  -3.009  0.00  0.00    -0.094 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1        2.724  -0.657  -0.418  0.00  0.00    -0.027 S 
BRANCH  19  20
ATOM     20  C   LIG    1        2.924   0.033   1.153  0.00  0.00    +0.215 A 
ATOM     21  N   LIG    1        4.125   0.124   1.793  0.00  0.00    -0.223 N 
ATOM     22  C   LIG    1        5.431  -0.293   1.369  0.00  0.00    +0.177 C 
ATOM     23  N   LIG    1        3.947   0.702   2.994  0.00  0.00    -0.043 NA
ATOM     24  N   LIG    1        2.646   0.948   3.073  0.00  0.00    -0.022 NA
ATOM     25  N   LIG    1        1.995   0.534   1.935  0.00  0.00    -0.101 NA
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7