REMARK  Name = BDB031650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.272  -0.770   2.918  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -1.129  -0.244   3.779  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.759  -0.056   1.786  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.390  -0.662   0.692  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.864   0.062  -0.411  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -3.440  -0.893  -1.308  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -3.307  -2.143  -0.746  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -2.698   1.474  -0.429  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -3.167   2.345  -1.566  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -2.072   2.080   0.677  0.00  0.00    +0.006 A 
ATOM     11  N   LIG    1       -2.685  -1.991   0.461  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1       -2.410  -2.744   1.087  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -1.618   1.332   1.761  0.00  0.00    +0.027 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -4.050  -0.645  -2.578  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -4.541  -0.439  -3.609  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1       -0.113  -1.980   2.736  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        0.439  -2.209   4.054  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.689  -3.067   1.970  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1        3.142   0.023   0.223  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1        3.085   0.233   1.610  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        2.092  -0.381   2.379  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        1.147  -1.198   1.754  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        1.204  -1.432   0.377  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        2.198  -0.815  -0.388  0.00  0.00    +0.017 A 
BRANCH  19  25
ATOM     25  C   LIG    1        4.218   0.709  -0.544  0.00  0.00    +0.339 C 
ATOM     26  O   LIG    1        5.028   1.467  -0.035  0.00  0.00    -0.245 OA
BRANCH  25  28
ATOM     27  C   LIG    1        5.168   0.990  -2.659  0.00  0.00    +0.280 C 
ATOM     28  O   LIG    1        4.161   0.371  -1.856  0.00  0.00    -0.464 OA
ENDBRANCH  25  28
ENDBRANCH  19  25
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 6