REMARK  Name = BDB050232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.606   0.454  -0.183  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        4.033  -0.398   0.770  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        2.654  -0.526   0.776  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        1.776  -1.375   1.693  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.441  -1.027   1.138  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.480  -0.143   0.090  0.00  0.00    +0.084 A 
ATOM      7  N   LIG    1       -0.704   0.220  -0.465  0.00  0.00    -0.224 NA
ATOM      8  C   LIG    1       -1.646  -0.421   0.194  0.00  0.00    +0.165 A 
ATOM      9  S   LIG    1       -1.136  -1.461   1.490  0.00  0.00    -0.056 S 
ATOM     10  C   LIG    1        1.851   0.186  -0.157  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        2.399   1.026  -1.098  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        3.792   1.154  -1.103  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   8  13
ATOM     13  N   LIG    1       -3.002  -0.399   0.029  0.00  0.00    -0.260 N 
ATOM     14  H   LIG    1       -3.532  -0.985   0.649  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -3.622   0.322  -0.973  0.00  0.00    +0.256 C 
ATOM     16  O   LIG    1       -3.031   0.973  -1.828  0.00  0.00    -0.269 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.085   0.221  -0.934  0.00  0.00    +0.074 A 
ATOM     18  S   LIG    1       -5.982   0.652  -2.337  0.00  0.00    -0.092 S 
ATOM     19  C   LIG    1       -7.473   0.294  -1.589  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -7.310  -0.132  -0.292  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -5.935  -0.171   0.088  0.00  0.00    +0.021 A 
ENDBRANCH  15  17
ENDBRANCH   8  13
BRANCH   1  23
ATOM     22  C   LIG    1        6.826   0.023   0.562  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.947   0.697  -0.330  0.00  0.00    -0.495 OA
ENDBRANCH   1  23
TORSDOF 3