REMARK  Name = BDB000785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.785  -0.911   0.550  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        1.137  -1.784   1.441  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.176  -1.550   1.861  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.867  -0.440   1.386  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -0.235   0.454   0.523  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        1.080   0.214   0.107  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        3.119  -1.198   0.205  0.00  0.00    -0.294 N 
ATOM      8  H   LIG    1        3.281  -2.189   0.062  0.00  0.00    +0.154 HD
BRANCH   7  12
ATOM      9 BR   LIG    1        6.730   2.868  -1.237  0.00  0.00    -0.041 Br
ATOM     10  C   LIG    1        5.682   1.313  -0.914  0.00  0.00    +0.076 A 
ATOM     11  S   LIG    1        4.273   1.287   0.022  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        4.092  -0.406  -0.304  0.00  0.00    +0.163 A 
ATOM     13  N   LIG    1        5.068  -0.919  -1.030  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1        5.969   0.064  -1.397  0.00  0.00    +0.136 A 
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  O   LIG    1       -2.143  -0.246   1.863  0.00  0.00    -0.456 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.109   0.121   0.955  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1       -3.308  -0.558  -0.249  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -4.330  -0.157  -1.111  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -5.160   0.909  -0.761  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.974   1.571   0.453  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.953   1.172   1.316  0.00  0.00    +0.046 A 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4