REMARK  Name = BDB057666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.517  -0.792   1.156  0.00  0.00    -0.218 N 
ATOM      2  C   LIG    1       -1.656  -1.396   0.274  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -1.901  -2.388  -0.398  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.360  -0.666   0.251  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.661  -1.070  -0.516  0.00  0.00    +0.028 C 
ATOM      6  S   LIG    1       -0.418   0.671   1.332  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -2.079   0.341   1.783  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -2.716   1.041   2.554  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.976  -0.429  -0.607  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        2.127   0.849  -1.148  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.396   1.429  -1.235  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.529   0.742  -0.792  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.381  -0.539  -0.260  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.111  -1.122  -0.172  0.00  0.00    +0.011 A 
BRANCH  12  15
ATOM     15  O   LIG    1        5.699   1.434  -0.934  0.00  0.00    -0.491 OA
BRANCH  15  16
ATOM     16  C   LIG    1        6.920   0.818  -0.519  0.00  0.00    +0.240 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.159   1.044   0.964  0.00  0.00    +0.121 C 
ATOM     18 BR   LIG    1        8.837   0.225   1.504  0.00  0.00    -0.088 Br
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1       -3.887  -1.242   1.299  0.00  0.00    +0.238 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.754  -0.537   0.269  0.00  0.00    +0.325 C 
ATOM     21  O   LIG    1       -4.354   0.278  -0.553  0.00  0.00    -0.249 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -6.048  -0.949   0.404  0.00  0.00    -0.464 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -7.504   0.953   0.043  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -6.988  -0.362  -0.509  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8