REMARK  Name = BDB030317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.231   0.536   0.569  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.124   0.460   1.645  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.471   0.189   1.407  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        3.357   0.108   2.503  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        3.015   0.252   3.443  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        4.711  -0.152   2.404  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.224  -0.355   1.053  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.378  -0.281  -0.039  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        5.196  -0.553  -1.506  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.692  -0.771  -0.704  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.569  -0.640   0.662  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        5.422  -0.208   3.403  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.948  -0.001   0.092  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.052   0.096  -0.978  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.700   0.368  -0.742  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -1.455   1.533   1.835  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -1.201   0.833   0.862  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1       -2.108   0.241   0.006  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -1.746  -0.428  -0.672  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.520   0.359  -0.005  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1       -4.285  -0.412  -0.911  0.00  0.00    +0.080 A 
ATOM     22  C   LIG    1       -5.688  -0.290  -0.922  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -6.336   0.586  -0.054  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.587   1.349   0.832  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.193   1.237   0.855  0.00  0.00    +0.024 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.724  -1.385  -1.891  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1       -4.373  -2.077  -2.655  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -2.377  -1.466  -1.898  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -2.216  -2.151  -2.587  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 4