REMARK  Name = BDB028534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.432   0.456   2.775  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.948  -0.370   2.008  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        1.708  -1.208   1.204  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        3.166  -1.083   1.284  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1        3.694  -0.137   0.170  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        3.194  -0.639  -1.208  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        1.673  -0.846  -1.215  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1        1.231  -1.753  -0.066  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.406  -0.531   1.871  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.689  -1.494   1.745  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        5.159   0.109   0.246  0.00  0.00    -0.297 NA
ATOM     12  C   LIG    1        5.551   1.277  -0.564  0.00  0.00    +0.095 C 
ATOM     13  C   LIG    1        6.770   2.011   0.007  0.00  0.00    +0.084 C 
ATOM     14  S   LIG    1        8.372   1.567  -0.731  0.00  0.00    -0.159 S 
ATOM     15  C   LIG    1        8.253  -0.241  -0.825  0.00  0.00    +0.070 C 
ATOM     16  C   LIG    1        7.478  -0.927   0.292  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1        5.980  -1.080  -0.001  0.00  0.00    +0.085 C 
ENDBRANCH   5  11
BRANCH   9  18
ATOM     18  C   LIG    1       -1.316   0.212   2.727  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.772   0.066   2.271  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.102  -1.329   2.160  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -3.886  -1.344   1.571  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.034   0.753   0.913  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.396   0.445   0.409  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.469   0.760  -1.036  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.859   0.622  -1.620  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.995   0.666  -0.794  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -8.273   0.568  -1.361  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.423   0.455  -2.743  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.300   0.431  -3.566  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.835   0.752   0.701  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.024   0.518  -3.009  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.432   1.218   1.119  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 6