REMARK  Name = BDB048254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.123  -1.243  -1.272  0.00  0.00    -0.225 NA
ATOM      2  C   LIG    1       -0.148  -1.015  -1.315  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -0.978  -1.678  -2.185  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1       -2.323  -1.390  -2.103  0.00  0.00    +0.259 C 
ATOM      5  O   LIG    1       -3.216  -1.908  -2.759  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1       -2.558  -0.343  -1.071  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -3.785   0.137  -0.824  0.00  0.00    +0.028 C 
ATOM      8  S   LIG    1       -1.070   0.111  -0.342  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.599   0.823   1.442  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1        3.353   1.345   0.166  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.529   0.660  -0.732  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.932  -0.547  -0.365  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        2.198  -1.084   0.896  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.021  -0.403   1.797  0.00  0.00    +0.006 A 
BRANCH   9  16
ATOM     15  C   LIG    1        5.954   1.129   2.249  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        4.501   1.551   2.405  0.00  0.00    +0.032 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   7  17
ATOM     17  C   LIG    1       -4.137   1.173   0.153  0.00  0.00    -0.021 A 
ATOM     18  C   LIG    1       -3.911   1.002   1.519  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -4.292   2.017   2.381  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -4.881   3.163   1.980  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1       -5.099   3.300   0.655  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -4.754   2.344  -0.286  0.00  0.00    +0.027 A 
ENDBRANCH   7  17
BRANCH   3  23
ATOM     23  C   LIG    1       -0.494  -2.702  -3.098  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -0.476  -4.075  -2.442  0.00  0.00    +0.025 C 
ENDBRANCH   3  23
TORSDOF 4