REMARK  Name = BDB049526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.364  -0.766   0.414  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -3.902  -0.809  -0.903  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -2.531  -0.744  -1.169  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.606  -0.642  -0.128  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -2.064  -0.609   1.189  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.437  -0.674   1.458  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  11
ATOM      7  O   LIG    1       -8.755   2.923  -0.794  0.00  0.00    -0.262 OA
ATOM      8  C   LIG    1       -8.241   1.915  -0.340  0.00  0.00    +0.283 C 
ATOM      9  S   LIG    1       -6.537   1.532  -0.461  0.00  0.00    -0.026 S 
ATOM     10  C   LIG    1       -6.729   0.047   0.395  0.00  0.00    +0.080 C 
ATOM     11  C   LIG    1       -5.793  -0.851   0.728  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -8.155  -0.130   0.777  0.00  0.00    +0.258 C 
ATOM     13  O   LIG    1       -8.609  -1.077   1.400  0.00  0.00    -0.269 OA
ATOM     14  N   LIG    1       -8.888   0.927   0.329  0.00  0.00    -0.243 N 
ATOM     15  H   LIG    1       -9.878   0.983   0.497  0.00  0.00    +0.159 HD
ENDBRANCH   1  11
BRANCH   4  16
ATOM     16  O   LIG    1       -0.300  -0.587  -0.529  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.692  -0.495   0.494  0.00  0.00    +0.247 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.073  -0.435  -0.168  0.00  0.00    +0.144 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.127  -0.439   0.839  0.00  0.00    -0.320 N 
ATOM     20  H   LIG    1        3.055  -1.169   1.539  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.388  -0.142   0.443  0.00  0.00    +0.159 A 
ATOM     22  S   LIG    1        5.721  -0.593   1.433  0.00  0.00    -0.052 S 
ATOM     23  C   LIG    1        6.811   0.098   0.297  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        6.077   0.625  -0.765  0.00  0.00    +0.080 A 
ATOM     25  C   LIG    1        6.769   1.247  -1.825  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        8.165   1.325  -1.793  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        8.876   0.791  -0.723  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.213   0.170   0.340  0.00  0.00    +0.017 A 
ATOM     29  N   LIG    1        4.704   0.477  -0.668  0.00  0.00    -0.225 NA
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6