REMARK  Name = BDB048262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.214  -2.307   0.289  0.00  0.00    -0.225 NA
ATOM      2  C   LIG    1       -0.016  -2.022  -0.102  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1        0.774  -2.941  -0.745  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1        0.306  -4.283  -1.015  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1        2.033  -2.529  -1.120  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        2.877  -3.201  -1.696  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        2.243  -1.109  -0.721  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        3.399  -0.476  -0.961  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1        0.842  -0.506   0.071  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.613   0.475   0.845  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1       -2.821  -0.488   0.204  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -1.988  -1.338   0.940  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -1.974  -1.244   2.333  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.754  -0.287   2.983  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.565   0.573   2.242  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -3.725   2.655  -0.387  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -4.482   1.407   0.041  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   8  18
ATOM     18  C   LIG    1        3.726   0.909  -0.603  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        3.008   1.990  -1.115  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.392   3.269  -0.747  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        4.431   3.536   0.072  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        5.117   2.474   0.545  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        4.811   1.159   0.237  0.00  0.00    +0.027 A 
ENDBRANCH   8  18
TORSDOF 3