REMARK  Name = BDB028520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.547  -1.750   0.500  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.466  -0.766   1.233  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.549   0.050   1.527  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.796  -0.220   0.794  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -3.950   0.629  -0.488  0.00  0.00    +0.094 C 
ATOM      6  S   LIG    1       -3.854   2.462  -0.227  0.00  0.00    -0.151 S 
ATOM      7  C   LIG    1       -4.553   2.608   1.445  0.00  0.00    +0.071 C 
ATOM      8  C   LIG    1       -3.729   2.041   2.608  0.00  0.00    +0.030 C 
ATOM      9  C   LIG    1       -2.430   1.305   2.278  0.00  0.00    +0.110 C 
ATOM     10  N   LIG    1       -0.279  -0.416   1.813  0.00  0.00    -0.297 N 
ATOM     11  H   LIG    1       -0.150   0.546   2.078  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -5.192   0.286  -1.298  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1       -6.459   0.131  -0.711  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -7.575  -0.178  -1.492  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.446  -0.333  -2.870  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.200  -0.173  -3.470  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.084   0.137  -2.692  0.00  0.00    +0.005 A 
ENDBRANCH   5  12
BRANCH  10  18
ATOM     18  C   LIG    1        0.946  -1.190   1.616  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.504  -1.086   0.181  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.835  -2.008  -0.692  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.112  -2.025  -0.426  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.014  -1.416   0.127  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.881  -0.519   0.919  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.266  -1.033   0.970  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.090  -0.793  -0.278  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.752   0.229  -1.184  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.552   0.452  -2.312  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.695  -0.318  -2.529  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.043  -1.317  -1.624  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.497   1.040  -0.980  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        7.248  -1.552  -0.502  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.909   0.870   0.429  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 6