REMARK  Name = BDB050577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.312   0.903   0.223  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        2.996   1.719  -0.868  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.705   1.712  -1.403  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.712   0.892  -0.865  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.023   0.075   0.220  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.315   0.082   0.761  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.715   0.897   0.790  0.00  0.00    +0.059 C 
BRANCH   7  11
ATOM      8  O   LIG    1        9.105  -1.319   0.957  0.00  0.00    -0.263 OA
ATOM      9  C   LIG    1        7.947  -1.082   0.660  0.00  0.00    +0.279 C 
ATOM     10  S   LIG    1        7.379   0.477   0.125  0.00  0.00    -0.054 S 
ATOM     11  C   LIG    1        5.634  -0.070   0.042  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1        5.653  -1.457   0.662  0.00  0.00    +0.234 C 
ATOM     13  O   LIG    1        4.676  -2.082   1.051  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1        6.919  -1.955   0.749  0.00  0.00    -0.246 N 
ATOM     15  H   LIG    1        7.077  -2.849   1.187  0.00  0.00    +0.158 HD
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1       -0.501   0.992  -1.487  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.584   0.187  -1.016  0.00  0.00    +0.250 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.309   0.875   0.136  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.409   0.074   0.641  0.00  0.00    -0.343 N 
ATOM     20  C   LIG    1       -4.687   0.042   0.120  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -5.418  -0.861   0.898  0.00  0.00    -0.000 A 
ATOM     22  C   LIG    1       -6.771  -1.096   0.584  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -7.353  -0.424  -0.496  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.608   0.471  -1.258  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.542  -1.362   1.900  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -5.264   0.721  -0.966  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -3.314  -0.768   1.720  0.00  0.00    +0.087 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6