REMARK  Name = BDB030294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.228   0.882   1.301  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.803  -0.358   0.996  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.952  -0.406   0.204  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -3.522  -1.662  -0.097  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -3.105  -2.511   0.260  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.655  -1.849  -0.868  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -5.278  -0.639  -1.390  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -4.743   0.605  -1.109  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -5.635   1.865  -1.825  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -6.750   0.767  -2.518  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.446  -0.541  -2.209  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -5.091  -2.975  -1.086  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.544   0.778  -0.288  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.970   2.011   0.035  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -1.821   2.061   0.830  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        0.215   2.020   2.776  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -0.005   0.993   2.144  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        0.849  -0.091   2.127  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        0.802  -0.703   1.322  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.172   0.008   2.721  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.184   0.625   1.736  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.238  -0.110   0.453  0.00  0.00    -0.297 NA
ATOM     23  C   LIG    1        3.821   0.748  -0.603  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        4.337  -0.082  -1.787  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1        5.413  -0.958  -1.426  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        5.396  -1.331  -0.043  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1        3.978  -1.389   0.549  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 4