REMARK  Name = BDB032843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315   1.270   0.041  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1        1.026   0.296  -0.672  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1        0.695  -0.023  -2.065  0.00  0.00    +0.140 C 
ATOM      4  O   LIG    1        0.731   1.924   0.994  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.059   0.598  -0.459  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1       -1.066   1.582  -0.397  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1       -1.386   2.908  -0.710  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.678   3.228  -1.134  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.651   2.231  -1.238  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.345   0.912  -0.903  0.00  0.00    +0.047 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -1.765  -0.728  -0.131  0.00  0.00    -0.425 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -1.703  -2.469   1.446  0.00  0.00    +0.136 C 
ATOM     13  C   LIG    1       -2.141  -1.063   1.166  0.00  0.00    +0.309 C 
ATOM     14  O   LIG    1       -2.738  -0.352   1.963  0.00  0.00    -0.251 OA
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   2  15
ATOM     15  C   LIG    1        2.144  -0.338  -0.118  0.00  0.00    +0.169 A 
ATOM     16  S   LIG    1        2.536  -0.234   1.551  0.00  0.00    -0.028 S 
ATOM     17  C   LIG    1        3.863  -1.255   1.297  0.00  0.00    +0.185 A 
ATOM     18  C   LIG    1        3.929  -1.650  -0.014  0.00  0.00    +0.153 A 
ATOM     19  N   LIG    1        2.925  -1.141  -0.818  0.00  0.00    -0.230 NA
BRANCH  17  20
ATOM     20  N   LIG    1        4.749  -1.628   2.352  0.00  0.00    +0.065 N 
ATOM     21  O   LIG    1        5.704  -2.349   2.032  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        4.507  -1.224   3.495  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   2  15
TORSDOF 5