REMARK  Name = BDB028699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.559  -1.263  -1.273  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.766  -0.797  -1.069  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.299  -1.708  -0.177  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.598  -1.660   0.321  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.400  -0.599  -0.131  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.878   0.348  -1.039  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.361  -2.641   0.130  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.557   0.276  -1.519  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.810  -2.360  -0.553  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.472  -0.637  -2.110  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.217   0.274  -2.489  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.116  -0.935  -2.105  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.299  -2.312  -2.513  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.719   0.139  -2.873  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.212   0.468   0.252  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.612  -0.696  -0.422  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.406  -1.631   0.247  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.777  -1.412   1.581  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.332  -0.279   2.260  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.546   0.659   1.597  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.186   2.605  -0.621  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.436   1.414  -0.370  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.946  -2.712  -0.392  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.300  -3.924   0.006  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        0.978   1.162  -2.387  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.732   2.321  -2.725  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.825  -0.468   0.357  0.00  0.00    +0.179 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.990   0.698   1.216  0.00  0.00    -0.263 N 
ATOM     29  N   LIG    1        5.467   1.854   0.699  0.00  0.00    -0.176 NA
ATOM     30  C   LIG    1        5.496   2.680   1.751  0.00  0.00    +0.179 A 
ATOM     31  C   LIG    1        5.047   2.049   2.918  0.00  0.00    +0.154 A 
ATOM     32  C   LIG    1        4.728   0.767   2.560  0.00  0.00    +0.154 A 
BRANCH  31  33
ATOM     33  O   LIG    1        4.939   2.562   4.150  0.00  0.00    -0.504 OA
ATOM     34  H   LIG    1        4.594   1.893   4.766  0.00  0.00    +0.292 HD
ENDBRANCH  31  33
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 9