REMARK  Name = BDB060861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.581  -2.845   3.465  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.519  -0.796   2.497  0.00  0.00    +0.162 A 
ATOM      3  N   LIG    1       -1.166  -0.995   2.591  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -0.424  -0.412   2.227  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -0.993  -2.204   3.188  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -2.154  -2.714   3.510  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1       -3.118  -1.827   3.073  0.00  0.00    -0.128 NA
BRANCH   2  11
ATOM      8 BR   LIG    1       -7.074   1.744   1.460  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -5.194   1.582   1.346  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -4.555   0.494   1.942  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -3.160   0.358   1.866  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.428   1.337   1.174  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -3.074   2.426   0.580  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.459   2.549   0.665  0.00  0.00    +0.015 A 
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1        1.037  -3.480   1.558  0.00  0.00    -0.009 S 
BRANCH  15  16
ATOM     16  C   LIG    1        1.501  -1.994   0.818  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1        2.181  -1.987  -0.359  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1        2.486  -2.798  -0.873  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        2.330  -0.667  -0.713  0.00  0.00    +0.162 A 
ATOM     20  N   LIG    1        1.745   0.070   0.220  0.00  0.00    -0.128 NA
ATOM     21  N   LIG    1        1.236  -0.764   1.185  0.00  0.00    -0.122 NA
BRANCH  19  22
ATOM     22  C   LIG    1        3.001  -0.179  -1.919  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        2.935   1.188  -2.231  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        3.565   1.687  -3.372  0.00  0.00    +0.019 A 
ATOM     25 BR   LIG    1        3.459   3.532  -3.771  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1        4.270   0.838  -4.220  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        4.346  -0.521  -3.922  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.716  -1.027  -2.780  0.00  0.00    +0.011 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5