REMARK  Name = BDB048259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.804   1.319  -0.483  0.00  0.00    -0.225 NA
ATOM      2  C   LIG    1       -0.419   0.907  -0.516  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -1.464   1.758  -0.771  0.00  0.00    -0.244 N 
ATOM      4  C   LIG    1       -2.732   1.227  -0.688  0.00  0.00    +0.259 C 
ATOM      5  O   LIG    1       -3.783   1.843  -0.796  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1       -2.656  -0.233  -0.409  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -3.759  -0.991  -0.331  0.00  0.00    +0.028 C 
ATOM      8  S   LIG    1       -1.016  -0.717  -0.247  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.961  -1.355   0.322  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1        3.526  -1.145  -0.993  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.477  -0.261  -1.258  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.842   0.417  -0.215  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        2.293   0.231   1.093  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.341  -0.652   1.363  0.00  0.00    +0.006 A 
BRANCH   9  16
ATOM     15  C   LIG    1        6.447  -1.583   0.564  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        5.104  -2.295   0.608  0.00  0.00    +0.032 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   7  17
ATOM     17  C   LIG    1       -3.808  -2.436  -0.077  0.00  0.00    -0.021 A 
ATOM     18  C   LIG    1       -4.392  -3.276  -1.025  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -4.449  -4.634  -0.755  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -3.979  -5.195   0.379  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1       -3.428  -4.360   1.285  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -3.325  -2.990   1.109  0.00  0.00    +0.027 A 
ENDBRANCH   7  17
BRANCH   3  23
ATOM     23  C   LIG    1       -1.271   3.180  -1.012  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.212   3.983   0.287  0.00  0.00    +0.179 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -1.047   5.366  -0.027  0.00  0.00    -0.381 OA
ATOM     26  C   LIG    1       -0.978   6.166   1.146  0.00  0.00    +0.194 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6