REMARK  Name = BDB033462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.938   1.843   0.754  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.890   0.586   0.087  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -0.749   0.597  -0.719  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.378  -0.494  -1.514  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.194  -1.628  -1.497  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -2.342  -1.664  -0.708  0.00  0.00    +0.003 A 
ATOM      7  N   LIG    1       -0.155   1.832  -0.568  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.676   2.125  -1.066  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -2.699  -0.570   0.089  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -0.855   2.587   0.335  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -3.722   2.641   2.455  0.00  0.00    -0.191 NA
ATOM     12  C   LIG    1       -2.923   2.284   1.693  0.00  0.00    +0.101 C 
ENDBRANCH   1  12
BRANCH   4  13
ATOM     13  N   LIG    1        0.847  -0.455  -2.252  0.00  0.00    -0.212 N 
ATOM     14  H   LIG    1        0.733  -0.841  -3.192  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        2.136  -1.349  -1.548  0.00  0.00    +0.096 S 
ATOM     16  O   LIG    1        1.745  -2.744  -1.552  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1        3.338  -0.926  -2.238  0.00  0.00    -0.148 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.323  -0.863   0.159  0.00  0.00    +0.237 A 
ATOM     19  S   LIG    1        3.136   0.614   0.477  0.00  0.00    -0.035 S 
ATOM     20  C   LIG    1        2.822   0.390   2.128  0.00  0.00    +0.099 A 
ATOM     21 CL   LIG    1        3.346   1.541   3.280  0.00  0.00    -0.074 Cl
ATOM     22  C   LIG    1        2.128  -0.772   2.351  0.00  0.00    +0.140 A 
ATOM     23  N   LIG    1        1.830  -1.497   1.211  0.00  0.00    -0.227 NA
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   4  13
TORSDOF 4