REMARK  Name = BDB002182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.878  -1.412   0.451  0.00  0.00    +0.137 C 
ATOM      2  S   LIG    1       -1.564  -2.892   0.865  0.00  0.00    -0.018 S 
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.090  -0.225   1.911  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1        2.840  -1.556   1.198  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        1.397  -2.016   1.360  0.00  0.00    +0.107 C 
ATOM      6  N   LIG    1        0.441  -1.041   0.809  0.00  0.00    -0.312 N 
ATOM      7  C   LIG    1        0.859   0.370   0.849  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1        1.835   0.655   1.988  0.00  0.00    +0.033 C 
BRANCH   3   9
ATOM      9  C   LIG    1        4.261   0.482   1.257  0.00  0.00    +0.310 C 
ATOM     10  O   LIG    1        5.412   0.395   1.665  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        3.875   1.163   0.143  0.00  0.00    -0.465 OA
BRANCH  11  13
ATOM     12  C   LIG    1        5.556   0.878  -1.574  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        4.922   1.830  -0.578  0.00  0.00    +0.229 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  N   LIG    1       -1.489  -0.443  -0.337  0.00  0.00    -0.297 N 
ATOM     15  H   LIG    1       -0.834   0.011  -0.956  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.855  -0.198  -0.619  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -3.199   0.479  -1.808  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1       -2.170   0.900  -2.822  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1       -4.550   0.758  -2.074  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -5.549   0.391  -1.173  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.215  -0.240   0.024  0.00  0.00    -0.049 A 
ATOM     22  C   LIG    1       -6.281  -0.651   0.996  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -3.868  -0.532   0.289  0.00  0.00    +0.027 A 
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6