REMARK  Name = BDB032987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.013  -0.000   0.458  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        1.162   0.306  -0.233  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.139   0.970  -0.994  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.132  -0.826   1.349  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.239   0.054  -0.574  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1       -1.171   0.764  -0.008  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -1.232   2.168   0.088  0.00  0.00    -0.035 A 
ATOM      8  C   LIG    1       -0.151   2.981   0.745  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -2.346   2.828  -0.458  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.386   2.111  -1.058  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.336   0.720  -1.118  0.00  0.00    +0.047 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -2.174  -1.338  -0.671  0.00  0.00    -0.425 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -2.591  -3.440   0.298  0.00  0.00    +0.136 C 
ATOM     14  C   LIG    1       -2.897  -1.973   0.335  0.00  0.00    +0.309 C 
ATOM     15  O   LIG    1       -3.694  -1.453   1.106  0.00  0.00    -0.251 OA
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.359  -0.295   0.034  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1        3.636   0.227  -0.976  0.00  0.00    -0.028 S 
ATOM     18  C   LIG    1        4.678  -0.829  -0.144  0.00  0.00    +0.185 A 
ATOM     19  C   LIG    1        4.004  -1.508   0.842  0.00  0.00    +0.153 A 
ATOM     20  N   LIG    1        2.660  -1.192   0.939  0.00  0.00    -0.231 NA
BRANCH  18  21
ATOM     21  N   LIG    1        6.061  -0.944  -0.478  0.00  0.00    +0.065 N 
ATOM     22  O   LIG    1        6.723  -1.749   0.190  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        6.498  -0.243  -1.399  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 5