REMARK  Name = BDB059176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.032  -0.394  -1.888  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.596   0.774  -1.710  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.236   1.537  -0.650  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.734   1.132   0.252  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -1.324  -0.089  -0.021  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -1.012  -0.841  -1.100  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.989   2.802  -0.553  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.396   2.785  -0.528  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        3.134   3.970  -0.439  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        2.470   5.191  -0.383  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1        3.462   6.795  -0.265  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        1.080   5.239  -0.421  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        0.345   4.051  -0.511  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -1.088   1.907   1.396  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -1.406   2.554   2.306  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1        0.483  -1.371  -3.272  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.111  -3.010  -2.762  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1        1.095  -3.937  -0.567  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        0.562  -3.529  -1.563  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1       -2.557  -0.838   1.037  0.00  0.00    -0.027 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.473  -1.882   1.882  0.00  0.00    +0.215 A 
ATOM     22  N   LIG    1       -1.698  -3.208   2.100  0.00  0.00    -0.223 N 
ATOM     23  C   LIG    1       -2.803  -4.032   1.703  0.00  0.00    +0.177 C 
ATOM     24  N   LIG    1       -0.655  -3.732   2.770  0.00  0.00    -0.043 NA
ATOM     25  N   LIG    1        0.184  -2.720   2.953  0.00  0.00    -0.022 NA
ATOM     26  N   LIG    1       -0.311  -1.560   2.403  0.00  0.00    -0.101 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7