REMARK  Name = BDB028817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.574  -1.800   0.787  0.00  0.00    -0.093 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -4.727   1.782  -0.982  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -3.833   1.086  -0.511  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -2.851   0.555  -1.306  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -2.901   0.842  -2.275  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -1.596   0.188  -0.882  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -0.646   0.288  -1.656  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.459  -0.207   0.590  0.00  0.00    +0.139 C 
ATOM      9  C   LIG    1       -2.834  -0.374   1.242  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -3.686   0.856   0.973  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        1.028  -1.421   0.116  0.00  0.00    +0.098 A 
ATOM     12  N   LIG    1        1.474  -2.280  -0.827  0.00  0.00    -0.249 NA
ATOM     13  C   LIG    1        2.682  -2.039  -1.378  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1        3.491  -0.981  -1.017  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        3.026  -0.123  -0.024  0.00  0.00    +0.063 A 
ATOM     16  C   LIG    1        1.779  -0.346   0.562  0.00  0.00    +0.049 A 
BRANCH  15  17
ATOM     17  C   LIG    1        3.814   1.038   0.444  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1        3.463   1.835   1.294  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        5.005   1.142  -0.171  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        5.411   1.941   0.227  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  11
TORSDOF 4