REMARK  Name = BDB032864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.218  -0.372   0.114  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.106  -0.337  -0.263  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1       -0.362  -0.069  -1.203  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.650  -0.498   1.255  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        3.425   0.505  -0.760  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.201  -0.165  -0.999  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        1.900  -0.646  -2.287  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        2.780  -0.425  -3.345  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.965   0.267  -3.123  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        4.287   0.725  -1.842  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1        4.859   1.793   2.494  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        4.853   1.617   0.995  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1        3.747   0.919   0.557  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        3.095   0.595   1.275  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        5.767   2.057   0.307  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1       -1.201  -0.523   0.543  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1       -1.094  -0.975   2.178  0.00  0.00    -0.029 S 
ATOM     18  C   LIG    1       -2.794  -0.989   2.275  0.00  0.00    +0.169 A 
ATOM     19  C   LIG    1       -3.355  -0.620   1.064  0.00  0.00    +0.082 A 
ATOM     20  N   LIG    1       -2.413  -0.376   0.063  0.00  0.00    -0.227 NA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.814  -0.467   0.715  0.00  0.00    +0.034 C 
ATOM     22  C   LIG    1       -5.075   0.804  -0.099  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -5.327  -1.695  -0.039  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
BRANCH  18  24
ATOM     24  N   LIG    1       -3.491  -1.335   3.524  0.00  0.00    -0.021 NA
ATOM     25  O   LIG    1       -4.535  -1.978   3.374  0.00  0.00    -0.143 OA
ENDBRANCH  18  24
ENDBRANCH   2  16
TORSDOF 5