REMARK  Name = BDB000802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.208  -0.953  -0.141  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.011   0.423  -0.280  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        2.055   1.312   0.004  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        3.314   0.854   0.427  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        3.502  -0.527   0.541  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        2.462  -1.423   0.261  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.425  -3.104  -0.709  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.135  -1.946  -0.431  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1       -1.161  -1.489  -0.335  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -1.339  -0.654   0.208  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -2.283  -2.408  -0.385  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.613  -1.710  -0.726  0.00  0.00    +0.103 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -3.834  -0.505   0.111  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1       -3.544   0.731  -0.643  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1       -4.814   1.086  -1.408  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -5.918   0.273  -0.750  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -5.257  -0.352   0.467  0.00  0.00    +0.084 C 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  N   LIG    1        4.319   1.812   0.654  0.00  0.00    -0.294 N 
ATOM     19  H   LIG    1        3.970   2.641   1.124  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        5.666   1.685   0.704  0.00  0.00    +0.163 A 
ATOM     21  S   LIG    1        6.596   0.560  -0.230  0.00  0.00    -0.045 S 
ATOM     22  C   LIG    1        8.019   1.196   0.429  0.00  0.00    +0.076 A 
ATOM     23 BR   LIG    1        9.768   0.566   0.022  0.00  0.00    -0.041 Br
ATOM     24  C   LIG    1        7.741   2.230   1.283  0.00  0.00    +0.136 A 
ATOM     25  N   LIG    1        6.395   2.518   1.421  0.00  0.00    -0.232 NA
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 6