REMARK  Name = BDB048288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.354   2.347  -1.574  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1       -0.796   2.112  -1.033  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -1.856   2.970  -1.184  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1       -1.741   4.184  -1.963  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -3.035   2.623  -0.564  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1       -4.083   3.254  -0.587  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -2.865   1.334   0.163  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1       -3.876   0.770   0.838  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1       -1.264   0.746  -0.044  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.557  -0.343  -1.051  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        2.667  -0.496  -2.122  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        1.606   0.396  -2.294  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.409   1.444  -1.393  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        2.309   1.614  -0.339  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.372   0.724  -0.163  0.00  0.00    +0.006 A 
BRANCH  10  16
ATOM     16  C   LIG    1        4.697  -1.313  -0.858  0.00  0.00    +0.035 C 
BRANCH  16  18
ATOM     17  C   LIG    1        3.701  -2.661   1.064  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        4.254  -2.690  -0.354  0.00  0.00    +0.001 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   8  19
ATOM     19  C   LIG    1       -3.834  -0.498   1.575  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1       -2.980  -0.688   2.662  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -3.014  -1.906   3.321  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1       -3.835  -2.922   2.980  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1       -4.659  -2.711   1.933  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -4.699  -1.529   1.210  0.00  0.00    +0.027 A 
ENDBRANCH   8  19
TORSDOF 4