REMARK  Name = BDB000821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.928   2.562   0.247  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.569   1.118   0.052  0.00  0.00    -0.048 A 
ATOM      3  C   LIG    1       -0.221   0.733  -0.033  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        0.151  -0.606  -0.192  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.877  -1.565  -0.249  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -2.230  -1.208  -0.137  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -3.301  -2.254  -0.228  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.567   0.140   0.007  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   9
ATOM      9  N   LIG    1        1.482  -1.052  -0.299  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1        1.573  -2.054  -0.402  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.637  -0.346  -0.282  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        4.131  -1.222  -0.436  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        4.987   0.235  -0.333  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        6.884   0.374  -0.405  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        4.132   1.295  -0.190  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        2.792   0.956  -0.162  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   4   9
TORSDOF 2