REMARK  Name = BDB003060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.569  -1.462  -0.552  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1        1.871  -1.507  -0.959  0.00  0.00    -0.332 N 
ATOM      3  H   LIG    1        2.178  -1.605  -1.916  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1        2.655  -1.387   0.157  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1        1.740  -1.283   1.201  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1        2.103  -1.142   2.495  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        3.442  -1.115   2.695  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        4.413  -1.215   1.702  0.00  0.00    +0.038 A 
ATOM      9 BR   LIG    1        6.246  -1.158   2.152  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1        4.032  -1.357   0.369  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1        0.452  -1.338   0.746  0.00  0.00    -0.202 NA
ENDROOT
BRANCH   1  12
ATOM     12  S   LIG    1       -0.689  -1.584  -1.721  0.00  0.00    -0.083 S 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.141  -1.078  -0.751  0.00  0.00    +0.113 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -2.835   1.204  -1.694  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1       -2.284   0.427  -0.654  0.00  0.00    -0.020 A 
ATOM     16  C   LIG    1       -1.834   1.081   0.507  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -1.933   2.467   0.636  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.483   3.225  -0.393  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.932   2.597  -1.554  0.00  0.00    +0.019 A 
BRANCH  14  21
ATOM     20  N   LIG    1       -3.703   0.129  -3.893  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1       -3.312   0.609  -2.911  0.00  0.00    +0.099 C 
ENDBRANCH  14  21
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 4