REMARK  Name = BDB060851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.148   2.187   0.321  0.00  0.00    +0.209 A 
ATOM      2  N   LIG    1        0.744   1.300  -0.200  0.00  0.00    -0.201 NA
ATOM      3  C   LIG    1        1.538   1.004   0.811  0.00  0.00    +0.157 A 
ATOM      4  N   LIG    1        1.112   1.722   1.897  0.00  0.00    -0.258 N 
ATOM      5  H   LIG    1        1.483   1.732   2.838  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1        0.041   2.479   1.609  0.00  0.00    -0.145 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.659   0.064   0.794  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        2.858  -0.735  -0.343  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        3.911  -1.650  -0.404  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.783  -1.778   0.674  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        4.603  -0.991   1.809  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.548  -0.074   1.871  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  S   LIG    1       -1.460   2.879  -0.584  0.00  0.00    -0.076 S 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.228   2.098  -2.202  0.00  0.00    +0.157 C 
BRANCH  14  16
ATOM     15  O   LIG    1       -0.534  -0.121  -2.800  0.00  0.00    -0.291 OA
ATOM     16  C   LIG    1       -1.343   0.586  -2.195  0.00  0.00    +0.173 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.493  -0.085  -1.528  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1       -2.285  -1.352  -0.970  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -3.336  -2.023  -0.343  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.599  -1.434  -0.281  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.814  -0.178  -0.850  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.765   0.497  -1.478  0.00  0.00    +0.011 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5