REMARK  Name = BDB028533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.410   0.027  -2.536  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.597  -0.242  -1.655  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -1.594   0.329  -0.403  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -2.473   1.467  -0.135  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -3.618   1.107   0.844  0.00  0.00    +0.010 C 
ATOM      6  C   LIG    1       -2.971   0.519   2.116  0.00  0.00    +0.007 C 
ATOM      7  C   LIG    1       -2.081  -0.680   1.799  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1       -1.006  -0.307   0.778  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.633  -1.166  -1.933  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.875  -1.600  -2.815  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.711   0.207   0.169  0.00  0.00    -0.005 C 
ATOM     12  C   LIG    1       -5.767  -0.359   1.143  0.00  0.00    +0.014 C 
ATOM     13  C   LIG    1       -6.859   0.637   1.502  0.00  0.00    +0.069 C 
ATOM     14  S   LIG    1       -7.924   1.038   0.081  0.00  0.00    -0.161 S 
ATOM     15  C   LIG    1       -6.817   0.575  -1.290  0.00  0.00    +0.069 C 
ATOM     16  C   LIG    1       -5.378   0.976  -1.002  0.00  0.00    +0.014 C 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.782  -0.796  -1.874  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.704  -2.024  -1.865  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.621  -2.688  -0.594  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.197  -2.162  -0.003  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.186  -1.669  -2.124  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.750  -0.905  -0.989  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.064  -1.457  -0.592  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.752  -0.651   0.490  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.413   0.696   0.711  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        6.084   1.431   1.697  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.103   0.840   2.444  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.455  -0.488   2.215  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.289   1.326  -0.069  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.785  -1.230   1.241  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.919   0.521  -1.323  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6